| SpectraBase Spectrum ID |
CbOBXS999rv |
| Name |
1,4-Dihydro-4-(o-methoxyphenyl)-1,2,6-trimethyl-3,5-pyridinedicarboxylic acid, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.188922968 u |
| Formula |
C21H27NO5 |
| InChI |
InChI=1S/C21H27NO5/c1-7-26-20(23)17-13(3)22(5)14(4)18(21(24)27-8-2)19(17)15-11-9-10-12-16(15)25-6/h9-12,19H,7-8H2,1-6H3 |
| InChIKey |
OZQGVEBAHQAFKT-UHFFFAOYSA-N |
| Molecular Weight |
373.449 g/mol |
| SMILES |
C1(C(=C(N(C(=C1C(=O)OCC)C)C)C)C(OCC)=O)C=1C(=CC=CC1)OC |
| Spectrum/Structure Validation Score (Raman) |
0.818282 |
