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(E)-3-Methyl-4-(3',4'-methylenedioxyphenyl)-3-buten-2-one
SpectraBase Compound ID 8N6vfR3QzIO
InChI InChI=1S/C12H12O3/c1-8(9(2)13)5-10-3-4-11-12(6-10)15-7-14-11/h3-6H,7H2,1-2H3/b8-5+
InChIKey JCRZRJISXSHNGI-VMPITWQZSA-N
Mol Weight 204.22 g/mol
Molecular Formula C12H12O3
Exact Mass 204.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7cVLkVIaeM
Name (E)-3-Methyl-4-(3',4'-methylenedioxyphenyl)-3-buten-2-one
Alternate Name(s) (E)-4-(benzo[d][1,3]dioxol-5-yl)-3-methylbut-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O3
InChI InChI=1S/C12H12O3/c1-8(9(2)13)5-10-3-4-11-12(6-10)15-7-14-11/h3-6H,7H2,1-2H3/b8-5+
InChIKey JCRZRJISXSHNGI-VMPITWQZSA-N
Literature Reference DOI 10.1002/adsc.201600601
Molecular Weight 204.225 g/mol
SMILES c12cc(ccc2OCO1)\C=C\(C(C)=O)C
SPLASH splash10-0udi-1960000000-81ef9e3276835683872e
Source of Spectrum ASC-358-3565-5j
Wiley ID 1803439