SpectraBase Spectrum ID |
CpCwigM9eGX |
Name |
Ethylene, 1-acetyl-2-[2,3,4-trimethoxyphenyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
236.104858991 u |
Formula |
C13H16O4 |
InChI |
InChI=1S/C13H16O4/c1-9(14)5-6-10-7-8-11(15-2)13(17-4)12(10)16-3/h5-8H,1-4H3/b6-5+ |
InChIKey |
CDWROTZMPJSYFY-AATRIKPKSA-N |
Molecular Weight |
236.267 g/mol |
SMILES |
C1(=C(C=CC(=C1OC)OC)\C=C\C(C)=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821318 |