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3-(3,4-Diethoxyphenyl)propanoic acid
SpectraBase Compound ID E9BLVWnHLjs
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
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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