| SpectraBase Compound ID | Ji2Mm9aBmhj |
|---|---|
| InChI | InChI=1S/C14H17NO3/c16-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(17)18/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,16)(H,17,18)/t11-,12+/m0/s1 InChI=1S/C14H17NO3/c16-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(17)18/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,16)(H,17,18)/t11-,12+/m1/s1 |
| InChIKey | CMLOGIAOLIBOQF-NWDGAFQWSA-N |
| Mol Weight | 247.29 g/mol |
| Molecular Formula | C14H17NO3 |
| Exact Mass | 247.120843 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Bq7ggli9iS1 |
|---|---|
| Name | cis-2-(Phenylcarbamoyl)cyclohexanecarboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.120843408 u |
| Formula | C14H17NO3 |
| InChI | InChI=1S/C14H17NO3/c16-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(17)18/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,16)(H,17,18)/t11-,12+/m0/s1 |
| InChIKey | CMLOGIAOLIBOQF-NWDGAFQWSA-N |
| Molecular Weight | 247.294 g/mol |
| SMILES | OC([C@@]1(CCCC[C@@]1(C(NC=1C=CC=CC1)=O)[H])[H])=O |
| Spectrum/Structure Validation Score (Raman) | 0.843405 |