SpectraBase Spectrum ID |
1l5GGDC1E3 |
Name |
3-(3,4-Diethoxyphenyl)propanoic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
238.120509056 u |
Formula |
C13H18O4 |
InChI |
InChI=1S/C13H18O4/c1-3-16-11-7-5-10(6-8-13(14)15)9-12(11)17-4-2/h5,7,9H,3-4,6,8H2,1-2H3,(H,14,15) |
InChIKey |
RRPZDNYHNUEVSC-UHFFFAOYSA-N |
Molecular Weight |
238.283 g/mol |
SMILES |
C(OC1=C(C=CC(=C1)CCC(=O)O)OCC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940736 |