| SpectraBase Spectrum ID |
5mZ32ocvmkz |
| Name |
(3R,4R)-1-Benzyl-5-keto-4-propyl-pyrrolidine-3-carboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.152143537 u |
| Formula |
C16H21NO3 |
| InChI |
InChI=1S/C16H21NO3/c1-3-7-13-14(16(19)20-2)11-17(15(13)18)10-12-8-5-4-6-9-12/h4-6,8-9,13-14H,3,7,10-11H2,1-2H3/t13-,14+/m1/s1 |
| InChIKey |
DINIBAYFBJDVJN-KGLIPLIRSA-N |
| Molecular Weight |
275.348 g/mol |
| SMILES |
C1(N(C[C@@]([C@]1(CCC)[H])(C(=O)OC)[H])CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974891 |
