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(E)-4-(1,3-benzodioxol-5-yl)-2-butenoic acid ethyl ester
SpectraBase Compound ID JaasQnJqQlP
InChI InChI=1S/C13H14O4/c1-2-15-13(14)5-3-4-10-6-7-11-12(8-10)17-9-16-11/h3,5-8H,2,4,9H2,1H3/b5-3+
InChIKey GRAJSVMWYCFMMR-HWKANZROSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7D4rSuxVsx
Name (E)-4-(1,3-benzodioxol-5-yl)-2-butenoic acid ethyl ester
Alternate Name(s) (E)-4-(1,3-benzodioxol-5-yl)but-2-enoic acid ethyl ester Ethyl (E)-4-(1,3-benzodioxol-5-yl)but-2-enoate
CAS Registry Number 99557-74-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-2-15-13(14)5-3-4-10-6-7-11-12(8-10)17-9-16-11/h3,5-8H,2,4,9H2,1H3/b5-3+
InChIKey GRAJSVMWYCFMMR-HWKANZROSA-N
Molecular Weight 234.251 g/mol
SMILES c12c(OCO2)ccc(c1)C\C=C\C(=O)OCC
SPLASH splash10-001i-0950000000-9e82d4e4a522401e238c
Source of Spectrum J-57-5429-7
Wiley ID 1235948