| SpectraBase Spectrum ID |
EBLTAG4VXtc |
| Name |
3-(4-Methoxy-2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-oxopropanenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.095022582 u |
| Formula |
C18H15NO5 |
| InChI |
InChI=1S/C18H15NO5/c1-21-12-5-3-11(4-6-12)14(9-19)16(20)13-7-8-15-18(17(13)22-2)24-10-23-15/h3-8,14H,10H2,1-2H3 |
| InChIKey |
RVKVIHSTHLHPHI-UHFFFAOYSA-N |
| Molecular Weight |
325.320 g/mol |
| SMILES |
C1(=C2C(=CC=C1C(C(C#N)C1=CC=C(OC)C=C1)=O)OCO2)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916307 |
