Product Name1-(P-TOLYL)-1-CYCLOPENTANECARBOXYLIC ACID
CAS80789-75-9
Molecular FormulaC13H16O2
Molecular Weight204.26
InChI
InChIKey
Smiles

Mass
MS-NW-8065 1-(p-tolyl)-1-cyclopentanecarboxylic acid C13H16O2 (Mass of molecular ion: 204)
Source Temperature: 170 °C Sample Temperature: 110 °C Direct, 75 eV
27.0 1.1
39.0 2.9
41.0 3.7
51.0 1.7
63.0 1.4
64.0 1.0
65.0 3.1
67.0 14.1
77.0 3.1
78.0 1.2
79.0 1.4
89.0 1.0
91.0 6.7
92.0 1.2
103.0 1.2
105.0 59.9
106.0 5.3
115.0 7.0
116.0 3.0
117.0 6.4
118.0 1.3
127.0 1.1
128.0 3.3
129.0 3.1
131.0 2.4
141.0 1.4
142.0 1.6
143.0 1.9
158.0 1.0
159.0 100.0
160.0 13.3
162.0 1.1
204.0 20.2
205.0 3.0
400 MHz in CDCl3

| 1H NMR | 399.65 MHz |
| C13 H16 O2 | saturated in CDCl3 |
| 1-(p-tolyl)-1-cyclopentanecarboxylic acid | |
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Assign. Shift(ppm) |
Hz ppm Int.
2915.41 7.295 38
2913.21 7.290 284
2911.50 7.286 102
2906.86 7.274 116
2905.03 7.269 375
2902.95 7.264 57
2849.00 7.129 280
2841.06 7.109 225
925.17 2.315 1000
700.07 1.752 27
693.36 1.735 152
690.06 1.727 182
687.38 1.720 281
686.16 1.717 280
684.57 1.713 175
682.13 1.707 184
680.54 1.703 103
679.08 1.700 130
in CDCl3

KBr disc

nujol mull

1-(P-TOLYL)-1-CYCLOPENTANECARBOXYLIC ACID(80789-75-9) IR1 Atlas of Related Products
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