| SpectraBase Spectrum ID |
3tKCcNOFwYq |
| Name |
4-Asaryl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
363.131802013 u |
| Formula |
C18H21NO7 |
| InChI |
InChI=1S/C18H21NO7/c1-22-13-7-15(24-3)14(23-2)6-10(13)16-11(17(20)25-4)8-19-9-12(16)18(21)26-5/h6-9,16,19H,1-5H3 |
| InChIKey |
LDNBCCSMIHWEHV-UHFFFAOYSA-N |
| Molecular Weight |
363.366 g/mol |
| SMILES |
C1(C(C(=O)OC)=CNC=C1C(=O)OC)C1=C(C=C(C(=C1)OC)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865784 |
