| SpectraBase Spectrum ID |
KqhK7yi8S30 |
| Name |
(3S,4R)-1-Benzyl-4-phenyl-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 |
295.157228918 u |
| Formula |
C19H21NO2 |
| InChI |
InChI=1S/C19H21NO2/c1-22-19(21)18-14-20(12-15-8-4-2-5-9-15)13-17(18)16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3/t17-,18+/m0/s1 |
| InChIKey |
CBOILEULVFQPKE-ZWKOTPCHSA-N |
| SMILES |
[C@]1([C@@](CN(C1)CC1=CC=CC=C1)(C=1C=CC=CC1)[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906309 |
