| SpectraBase Spectrum ID |
LokyViEfp2J |
| Name |
Diethyl 5-acetyl-1,4-dihydro-6-methyl-1-benzylpyridine-2,3-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.173272904 u |
| Formula |
C21H25NO5 |
| InChI |
InChI=1S/C21H25NO5/c1-5-26-20(24)18-12-17(15(4)23)14(3)22(19(18)21(25)27-6-2)13-16-10-8-7-9-11-16/h7-11H,5-6,12-13H2,1-4H3 |
| InChIKey |
IAHHAFSLDRZGMW-UHFFFAOYSA-N |
| Molecular Weight |
371.433 g/mol |
| SMILES |
C1(=C(N(CC=2C=CC=CC2)C(=C(C1)C(=O)C)C)C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887548 |
