| SpectraBase Spectrum ID |
1eKV0QpjKpb |
| Name |
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-methyl-2,6-diphenyl-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.178358285 u |
| Formula |
C24H25NO4 |
| InChI |
InChI=1S/C24H25NO4/c1-4-28-23(26)19-16(3)20(24(27)29-5-2)22(18-14-10-7-11-15-18)25-21(19)17-12-8-6-9-13-17/h6-16,25H,4-5H2,1-3H3 |
| InChIKey |
DLNSYZACMPIALW-UHFFFAOYSA-N |
| Molecular Weight |
391.467 g/mol |
| SMILES |
C(OCC)(=O)C1=C(NC(=C(C1C)C(OCC)=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93568 |
