SpectraBase Spectrum ID |
4UCCDd8luTe |
Name |
2,3,4-Trimethoxyphenylacetic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
226.084123546 u |
Formula |
C11H14O5 |
InChI |
InChI=1S/C11H14O5/c1-14-8-5-4-7(6-9(12)13)10(15-2)11(8)16-3/h4-5H,6H2,1-3H3,(H,12,13) |
InChIKey |
ZMWCKCLDAQWIDA-UHFFFAOYSA-N |
Molecular Weight |
226.228 g/mol |
SMILES |
C1(=C(C=CC(=C1OC)OC)CC(=O)O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861827 |