| SpectraBase Spectrum ID |
7YjaY2q7SMy |
| Name |
3-(4-Methoxyphenyl)-3-oxo-2-(3,4,5-trimethoxyphenyl)propanenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.126322711 u |
| Formula |
C19H19NO5 |
| InChI |
InChI=1S/C19H19NO5/c1-22-14-7-5-12(6-8-14)18(21)15(11-20)13-9-16(23-2)19(25-4)17(10-13)24-3/h5-10,15H,1-4H3 |
| InChIKey |
ZROVILKKXRSBII-UHFFFAOYSA-N |
| Molecular Weight |
341.363 g/mol |
| SMILES |
C(C(C#N)C1=CC(=C(C(OC)=C1)OC)OC)(=O)C1=CC=C(OC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962319 |
