| SpectraBase Spectrum ID |
CygcLvSl5Jc |
| Name |
1-Cyclopropyl-4-(4-hydroxy-3-methoxy-phenyl)-1,4-dihydro-pyridine-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 |
359.136887394 u |
| Formula |
C19H21NO6 |
| InChI |
InChI=1S/C19H21NO6/c1-24-16-8-11(4-7-15(16)21)17-13(18(22)25-2)9-20(12-5-6-12)10-14(17)19(23)26-3/h4,7-10,12,17,21H,5-6H2,1-3H3 |
| InChIKey |
APDJIZAZWLOHKL-UHFFFAOYSA-N |
| Molecular Weight |
359.378 g/mol |
| SMILES |
C=1(C(C(C(=O)OC)=CN(C1)C1CC1)C1=CC(OC)=C(C=C1)O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960619 |
