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4-(1,3-benzodioxol-5-yl)but-3-enoic acid
SpectraBase Compound ID D5OAjEcZSgC
InChI InChI=1S/C11H10O4/c12-11(13)3-1-2-8-4-5-9-10(6-8)15-7-14-9/h1-2,4-6H,3,7H2,(H,12,13)/b2-1+
InChIKey WGBOGQWQWZUBHV-OWOJBTEDSA-N
Mol Weight 206.2 g/mol
Molecular Formula C11H10O4
Exact Mass 206.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zh5uLwZMFd
Name 4-(1,3-benzodioxol-5-yl)but-3-enoic acid
Alternate Name(s) (E)-4-(1,3-benzodioxol-5-yl)-3-butenoic acid
CAS Registry Number 119030-90-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10O4
InChI InChI=1S/C11H10O4/c12-11(13)3-1-2-8-4-5-9-10(6-8)15-7-14-9/h1-2,4-6H,3,7H2,(H,12,13)/b2-1+
InChIKey WGBOGQWQWZUBHV-OWOJBTEDSA-N
Molecular Weight 206.197 g/mol
SMILES OC(C\C=C\c1cc2c(OCO2)cc1)=O
SPLASH splash10-0pc0-2940000000-ab34a0a7011ea109aecd
Source of Spectrum AT-37-7510-3
Wiley ID 853732