The Conversion of Benzaldehyde to Benzilic Acid
Spectra Analysis
Organic Chemistry Lab, CHEM 369
The University of Tennessee, Knoxville
Dr. Smith
Spectra 1: tert-butyl cyanoacetate
Molecular formula:
141/13 = 10 R 11 => C10H10+11 => C10H21 C10H21NO2 – C3H10 = C7H11NO2
DBE:
2(#C - #H/2 - #X/2 + #N + 2)/2 =2(7 – 11/2 – 0/2 + 1 + 2)/2 = 3=> 1 double bond and 1 triple bond
Mass spectrum table: m/z fragment
|40 |C3H5+ |
|57 |C4H9+ |
|115 | |
|126 | |
|141 | |
IR spectrum table: Peak (cm-1) bond vibration
|2983, 2936 |C-H |
|2262 |C≡N |
|1744 |Ester carbonyl |
|1460 |C-H |
|1145 |C-O
Organic Chemistry Lab, CHEM 369
The University of Tennessee, Knoxville
Dr. Smith
Spectra 1: tert-butyl cyanoacetate
Molecular formula:
141/13 = 10 R 11 => C10H10+11 => C10H21 C10H21NO2 – C3H10 = C7H11NO2
DBE:
2(#C - #H/2 - #X/2 + #N + 2)/2 =2(7 – 11/2 – 0/2 + 1 + 2)/2 = 3=> 1 double bond and 1 triple bond
Mass spectrum table: m/z fragment
|40 |C3H5+ |
|57 |C4H9+ |
|115 | |
|126 | |
|141 | |
IR spectrum table: Peak (cm-1) bond vibration
|2983, 2936 |C-H |
|2262 |C≡N |
|1744 |Ester carbonyl |
|1460 |C-H |
|1145 |C-O