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(E)-3-Hydroxymethyl-4-(3',4'-methylenedioxyphenyl)-3-buten-2-one
SpectraBase Compound ID FNBNMXOy10V
InChI InChI=1S/C12H12O4/c1-8(14)10(6-13)4-9-2-3-11-12(5-9)16-7-15-11/h2-5,13H,6-7H2,1H3/b10-4+
InChIKey KIAKVACOLMCXSF-ONNFQVAWSA-N
Mol Weight 220.22 g/mol
Molecular Formula C12H12O4
Exact Mass 220.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZwfIcrJMlU
Name (E)-3-Hydroxymethyl-4-(3',4'-methylenedioxyphenyl)-3-buten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O4
InChI InChI=1S/C12H12O4/c1-8(14)10(6-13)4-9-2-3-11-12(5-9)16-7-15-11/h2-5,13H,6-7H2,1H3/b10-4+
InChIKey KIAKVACOLMCXSF-ONNFQVAWSA-N
Literature Reference DOI 10.1002/adsc.201600601
Molecular Weight 220.224 g/mol
SMILES OC\C(C(C)=O)=C/c1cc2c(cc1)OCO2
SPLASH splash10-05fs-3940000000-b87a3e5e019f6ea9e65e
Source of Spectrum ASC-358-3565-4j
Synonyms (E)-4-(benzo[d][1,3]dioxol-5-yl)-3-(hydroxymethyl)but-3-en-2-one
Wiley ID 1803436