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(3,4-Dimethoxy-phenyl)-hydroxy-phenylacetic acid, methyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

(3,4-Dimethoxy-phenyl)-hydroxy-phenylacetic acid, methyl ester
SpectraBase Compound ID 6N8SBTUzRwI
InChI InChI=1S/C17H18O5/c1-20-14-10-9-13(11-15(14)21-2)17(19,16(18)22-3)12-7-5-4-6-8-12/h4-11,19H,1-3H3
InChIKey ZELZVKNLBWFKJS-UHFFFAOYSA-N
Mol Weight 302.33 g/mol
Molecular Formula C17H18O5
Exact Mass 302.115424 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IvxMlkv4bxJ
Name (3,4-Dimethoxy-phenyl)-hydroxy-phenylacetic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.115423675 u
Formula C17H18O5
InChI InChI=1S/C17H18O5/c1-20-14-10-9-13(11-15(14)21-2)17(19,16(18)22-3)12-7-5-4-6-8-12/h4-11,19H,1-3H3
InChIKey ZELZVKNLBWFKJS-UHFFFAOYSA-N
SMILES C1=C(C=CC(=C1OC)OC)C(C1=CC=CC=C1)(O)C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977832