| SpectraBase Spectrum ID |
IxNDCc9AAWw |
| Name |
1-(p-Chlorophenyl)cyclohexanecarboxylic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.091707485 u |
| Formula |
C14H17ClO2 |
| InChI |
InChI=1S/C14H17ClO2/c1-17-13(16)14(9-3-2-4-10-14)11-5-7-12(15)8-6-11/h5-8H,2-4,9-10H2,1H3 |
| InChIKey |
SHDCRBFNUMCGRF-UHFFFAOYSA-N |
| Molecular Weight |
252.741 g/mol |
| SMILES |
C1C(CCCC1)(C=1C=CC(=CC1)Cl)C(=O)OC |
| Spectrum/Structure Validation Score (Raman) |
0.900864 |
