| SpectraBase Spectrum ID |
CIu8oN30Dij |
| Name |
Trimethyl 2-benzyl-C-5-phenylpyrrolidine-R-2,C-3,T-4-tricarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.168187523 u |
| Formula |
C23H25NO6 |
| InChI |
InChI=1S/C23H25NO6/c1-28-20(25)17-18(16-12-8-5-9-13-16)24-19(21(26)29-2)23(17,22(27)30-3)14-15-10-6-4-7-11-15/h4-13,17-19,24H,14H2,1-3H3/t17-,18+,19-,23-/m0/s1 |
| InChIKey |
GKLGMSMQTJHCSL-YWNPBTLJSA-N |
| Molecular Weight |
411.454 g/mol |
| SMILES |
[C@]1([C@@]([C@@](C=2C=CC=CC2)(N[C@]1(C(=O)OC)[H])[H])(C(=O)OC)[H])(C(=O)OC)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933562 |
