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4-(1,3-Benzodioxol-5-yl)butanoic acid

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

4-(1,3-Benzodioxol-5-yl)butanoic acid
SpectraBase Compound ID 1AUC0rUK2jF
InChI InChI=1S/C11H12O4/c12-11(13)3-1-2-8-4-5-9-10(6-8)15-7-14-9/h4-6H,1-3,7H2,(H,12,13)
InChIKey DOVMVBWTRNTJOF-UHFFFAOYSA-N
Mol Weight 208.21 g/mol
Molecular Formula C11H12O4
Exact Mass 208.073559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1piNA3l7elC
Name 4-(1,3-Benzodioxol-5-yl)butanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.073558862 u
Formula C11H12O4
InChI InChI=1S/C11H12O4/c12-11(13)3-1-2-8-4-5-9-10(6-8)15-7-14-9/h4-6H,1-3,7H2,(H,12,13)
InChIKey DOVMVBWTRNTJOF-UHFFFAOYSA-N
Molecular Weight 208.213 g/mol
SMILES C=12C(OCO2)=CC=C(C1)CCCC(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882111