| SpectraBase Compound ID | 60ba6sw1Gql |
|---|---|
| InChI | InChI=1S/C17H21NO3/c19-15-11-14(17(20)21)16(12-7-3-1-4-8-12)18(15)13-9-5-2-6-10-13/h1,3-4,7-8,13-14,16H,2,5-6,9-11H2,(H,20,21)/t14-,16+/m1/s1 InChI=1S/C17H21NO3/c19-15-11-14(17(20)21)16(12-7-3-1-4-8-12)18(15)13-9-5-2-6-10-13/h1,3-4,7-8,13-14,16H,2,5-6,9-11H2,(H,20,21)/t14-,16+/m0/s1 |
| InChIKey | RJUKZKFCEJJYRU-ZBFHGGJFSA-N |
| Mol Weight | 287.36 g/mol |
| Molecular Formula | C17H21NO3 |
| Exact Mass | 287.152144 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1l2qPbmPdKD |
|---|---|
| Name | Trans-1-cyclohexyl-5-oxo-2-phenyl-3-pyrrolidinecarboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.152143537 u |
| Formula | C17H21NO3 |
| InChI | InChI=1S/C17H21NO3/c19-15-11-14(17(20)21)16(12-7-3-1-4-8-12)18(15)13-9-5-2-6-10-13/h1,3-4,7-8,13-14,16H,2,5-6,9-11H2,(H,20,21)/t14-,16+/m1/s1 |
| InChIKey | RJUKZKFCEJJYRU-ZBFHGGJFSA-N |
| SMILES | OC([C@@]1(CC(N([C@]1(C1=CC=CC=C1)[H])C1CCCCC1)=O)[H])=O |
| Spectrum/Structure Validation Score (Raman) | 0.985631 |