| SpectraBase Spectrum ID |
2IKzQd4kjNo |
| Name |
(3R,4R)-1-Benzyl-4-ethyl-5-keto-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 |
261.136493473 u |
| Formula |
C15H19NO3 |
| InChI |
InChI=1S/C15H19NO3/c1-3-12-13(15(18)19-2)10-16(14(12)17)9-11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3/t12-,13+/m1/s1 |
| InChIKey |
AJYSPGDJQNLNAG-OLZOCXBDSA-N |
| Molecular Weight |
261.321 g/mol |
| SMILES |
C1(N(C[C@@]([C@]1(CC)[H])(C(=O)OC)[H])CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928539 |
