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4-(3,4,5-Trimethoxyphenyl)butanoic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

4-(3,4,5-Trimethoxyphenyl)butanoic acid
SpectraBase Compound ID 5VBRhWZmRiM
InChI InChI=1S/C13H18O5/c1-16-10-7-9(5-4-6-12(14)15)8-11(17-2)13(10)18-3/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKey IINCZBWJOVSTSL-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Wce6y2Ts48
Name 4-(3,4,5-Trimethoxyphenyl)butanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.115423675 u
Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-16-10-7-9(5-4-6-12(14)15)8-11(17-2)13(10)18-3/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKey IINCZBWJOVSTSL-UHFFFAOYSA-N
Molecular Weight 254.282 g/mol
SMILES C=1(C(=CC(=CC1OC)CCCC(=O)O)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957317