Combined spectra problem (ir, nmr & mass) format of organic molecules

1. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 1
Prepared By
Dr. Krishnaswamy G
Faculty
DOS & R in Organic Chemistry
Tumkur University
Tumakuru

2. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 2
Experiment No: Date:
Structural elucidation of organic compounds with the help of UV,
IR, NMR (1
H & 13
C) and GC-MS/mass spectra
Molecular Formula:
Molecular Mass:
Determination of Double bond Equivalence or Index of Hydrogen
Deficiency

3. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 3
Table-1: IR Spectrum interpretation of
Sl.
No
Group
Frequency (cm-1
)
Group
Stretching
Intensity Remarks
Table-2: 1
HNMR Spectrum interpretation of
Sl.
No
NMR operating
Frequency
&
solvent ( ppm)
Chemical Shift
( ppm)
Multiplicity
&
Integration
Type of proton

4. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 4
Figure-1: IR Spectrum of C4H8O
Figure-2: 1
HNMR Spectrum of C4H8O

5. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 5
Figure-3: 13
CNMR Spectrum of C4H8O
Figure-4: Mass Spectrum of C4H8O

6. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 6
Table-3: 13
CNMR Spectrum interpretation of
Sl.
No
NMR operating
Frequency
&
solvent ( ppm)
Chemical Shift
( ppm)
Integration Type of carbon
Table-4: Mass Spectrum interpretation of
Sl.
No
Ionization method m/z
Relative
abundance
Fragments
Fragmentation pattern

7. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 7
Report:
Signature of the teacher-in-charge

8. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 8
Experiment No: Date:
Structural elucidation of organic compounds with the help of UV,
IR, NMR (1
H & 13
C) and GC-MS/mass spectra
Molecular Formula:
Molecular Mass:
Determination of Double bond Equivalence or Index of Hydrogen
Deficiency

9. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 9
Table-1: IR Spectrum interpretation of
Sl.
No
Group
Frequency (cm-1
)
Group
Stretching
Intensity Remarks
Table-2: 1
HNMR Spectrum interpretation of
Sl.
No
NMR operating
Frequency
&
solvent ( ppm)
Chemical Shift
( ppm)
Multiplicity
&
Integration
Type of proton

10. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 10
Figure-1: IR Spectrum of C3H6O2
Figure-2: 1
HNMR Spectrum of C3H6O2

11. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 11
Figure-3: 13
CNMR & DEPT Spectrum of C3H6O2
Figure-4: Mass Spectrum of C3H6O2

12. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 12
Table-3: 13
CNMR & DEPT Spectrum interpretation of
Sl.
No
NMR operating
Frequency
&
solvent ( ppm)
Chemical Shift
( ppm)
Integration Type of carbon
Table-4: Mass Spectrum interpretation of
Sl.
No
Ionization method m/z
Relative
abundance
Fragments
Fragmentation pattern

13. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 13
Report:
Signature of the teacher-in-charge

14. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 14
Experiment No: Date:
Structural elucidation of organic compounds with the help of UV,
IR, NMR (1
H & 13
C) and GC-MS/mass spectra
Molecular Formula:
Molecular Mass:
Determination of Double bond Equivalence or Index of Hydrogen
Deficiency

15. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 15
Table-1: IR Spectrum interpretation of
Sl.
No
Group
Frequency (cm-1
)
Group
Stretching
Intensity Remarks
Table-2: 1
HNMR Spectrum interpretation of
Sl.
No
NMR operating
Frequency
&
solvent ( ppm)
Chemical Shift
( ppm)
Multiplicity
&
Integration
Type of proton

16. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 16
Figure-1: IR Spectrum of C4H8O2
Figure-2: 1
HNMR Spectrum of C4H8O2

17. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 17
Figure-3: 13
CNMR & DEPT Spectrum of C4H8O2
Figure-4: Mass Spectrum of C4H8O2

18. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 18
Table-3: 13
CNMR & DEPT Spectrum interpretation of
Sl.
No
NMR operating
Frequency
&
solvent ( ppm)
Chemical Shift
( ppm)
Integration Type of carbon
Table-4: Mass Spectrum interpretation of
Sl.
No
Ionization method m/z
Relative
abundance
Fragments
Fragmentation pattern

19. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 19
Report:
Signature of the teacher-in-charge

20. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 20
Experiment No: Date:
Structural elucidation of organic compounds with the help of UV,
IR, NMR (1
H & 13
C) and GC-MS/mass spectra
Molecular Formula:
Molecular Mass:
Determination of Double bond Equivalence or Index of Hydrogen
Deficiency

21. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 21
Table-1: IR Spectrum interpretation of
Sl.
No
Group
Frequency (cm-1
)
Group
Stretching
Intensity Remarks
Table-2: 1
HNMR Spectrum interpretation of
Sl.
No
NMR operating
Frequency
&
solvent ( ppm)
Chemical Shift
( ppm)
Multiplicity
&
Integration
Type of proton

22. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 22
Figure-1: IR Spectrum of C2H4Br2
Figure-2: 1
HNMR Spectrum of C2H4Br2

23. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 23
Figure-3: 13
CNMR Spectrum of C2H4Br2
Figure-4: Mass Spectrum of C2H4Br2

24. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 24
Table-3: 13
CNMR Spectrum interpretation of
Sl.
No
NMR operating
Frequency
&
solvent ( ppm)
Chemical Shift
( ppm)
Integration Type of carbon
Table-4: Mass Spectrum interpretation of
Sl.
No
Ionization method m/z
Relative
abundance
Fragments
Fragmentation pattern

25. SPP-4.7 (4.3A) Practical Organic Spectroscopy
DOS & R in Organic Chemistry, TUT Page 25
Report:
Signature of the teacher-in-charge