| SpectraBase Spectrum ID |
BjN3vSEndHb |
| Name |
Trans-2-(p-chlorophenyl)-1-cyclohexyl-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 |
321.113171205 u |
| Formula |
C17H20ClNO3 |
| InChI |
InChI=1S/C17H20ClNO3/c18-12-8-6-11(7-9-12)16-14(17(21)22)10-15(20)19(16)13-4-2-1-3-5-13/h6-9,13-14,16H,1-5,10H2,(H,21,22)/t14-,16+/m0/s1 |
| InChIKey |
DVQHOJDTHKWTRK-GOEBONIOSA-N |
| Molecular Weight |
321.804 g/mol |
| SMILES |
OC([C@@]1([C@](N(C(C1)=O)C1CCCCC1)(C=1C=CC(=CC1)Cl)[H])[H])=O |
| Spectrum/Structure Validation Score (Raman) |
0.985537 |
