| SpectraBase Spectrum ID |
FDk87Z8qHsw |
| Name |
2,4-Pyrrolidinedicarboxylic acid, 2,3-dimethyl-5-phenyl-, dimethyl ester, (2.alpha.,3.beta.,4.alpha.,5.alpha.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.147058156 u |
| Formula |
C16H21NO4 |
| InChI |
InChI=1S/C16H21NO4/c1-10-12(14(18)20-3)13(11-8-6-5-7-9-11)17-16(10,2)15(19)21-4/h5-10,12-13,17H,1-4H3 |
| InChIKey |
VGCDTWPHOLNORH-UHFFFAOYSA-N |
| SMILES |
C1(NC(C=2C=CC=CC2)C(C1C)C(=O)OC)(C(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945524 |
