| SpectraBase Spectrum ID |
IaHX9CGWWZs |
| Name |
2,5-Pyrrolidinedicarboxylic acid, 3,4-dibenzoyl-2-methyl-, (2.alpha.,3.alpha.,4.beta.,5.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.121237330 u |
| Formula |
C21H19NO6 |
| InChI |
InChI=1S/C21H19NO6/c1-21(20(27)28)15(18(24)13-10-6-3-7-11-13)14(16(22-21)19(25)26)17(23)12-8-4-2-5-9-12/h2-11,14-16,22H,1H3,(H,25,26)(H,27,28)/t14-,15+,16-,21+/m1/s1 |
| InChIKey |
ZBRIZLLLBMUMIL-KQDGPHEJSA-N |
| Molecular Weight |
381.384 g/mol |
| SMILES |
[C@@]1([C@@]([C@@](C(=O)C=2C=CC=CC2)([C@@](N1)(C(=O)O)[H])[H])(C(=O)C=1C=CC=CC1)[H])(C(=O)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953237 |
