| SpectraBase Spectrum ID |
7Vufta9kmah |
| Name |
Trans-1-cyclohexyl-2-(p-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.162708221 u |
| Formula |
C18H23NO4 |
| InChI |
InChI=1S/C18H23NO4/c1-23-14-9-7-12(8-10-14)17-15(18(21)22)11-16(20)19(17)13-5-3-2-4-6-13/h7-10,13,15,17H,2-6,11H2,1H3,(H,21,22)/t15-,17+/m0/s1 |
| InChIKey |
UNUGZVUJEWGPEL-DOTOQJQBSA-N |
| Molecular Weight |
317.385 g/mol |
| SMILES |
OC([C@@]1([C@](N(C(C1)=O)C1CCCCC1)(C=1C=CC(=CC1)OC)[H])[H])=O |
| Spectrum/Structure Validation Score (Raman) |
0.985928 |
