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

View entire compound with spectra: 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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6Ay8A3rzjP
Name 4-(1,3-benzodioxol-5-yl)butanoic acid
Alternate Name(s) 4-(1,3-benzodioxol-5-yl)butyric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 OC(CCCc1cc2c(OCO2)cc1)=O
SPLASH splash10-000j-5920000000-57825e6ed2b3376ae0aa
Source of Spectrum MZ-34-3758-5
Wiley ID 1582640