| SpectraBase Spectrum ID |
1ltxfLMU5ZK |
| Name |
3-(2-Pyridinyl)-2-(3,4-dimethoxyphenyl)acrylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.131408092 u |
| Formula |
C18H19NO4 |
| InChI |
InChI=1S/C18H19NO4/c1-4-23-18(20)15(12-14-7-5-6-10-19-14)13-8-9-16(21-2)17(11-13)22-3/h5-12H,4H2,1-3H3/b15-12+ |
| InChIKey |
FNKDHHLQZCAOTM-NTCAYCPXSA-N |
| Molecular Weight |
313.353 g/mol |
| SMILES |
C=1(\C(C(=O)OCC)=C/C2=NC=CC=C2)C=C(OC)C(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944642 |
