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5-(2,5-Dimethoxyphenyl)pentanoic acid

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

5-(2,5-Dimethoxyphenyl)pentanoic acid
SpectraBase Compound ID 7NAsctxdCFz
InChI InChI=1S/C13H18O4/c1-16-11-7-8-12(17-2)10(9-11)5-3-4-6-13(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)
InChIKey DYAVKOAANPAPFR-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 DZStitwlzDB
Name 5-(2,5-Dimethoxyphenyl)pentanoic 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/c1-16-11-7-8-12(17-2)10(9-11)5-3-4-6-13(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)
InChIKey DYAVKOAANPAPFR-UHFFFAOYSA-N
Molecular Weight 238.283 g/mol
SMILES C1=CC(=C(C=C1OC)CCCCC(O)=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882879