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(E)-3-Acetoxymethyl-4-(2'-chlorophenyl)-3-buten-2-one
SpectraBase Compound ID EDzfTtyMwmX
InChI InChI=1S/C13H13ClO3/c1-9(15)12(8-17-10(2)16)7-11-5-3-4-6-13(11)14/h3-7H,8H2,1-2H3/b12-7+
InChIKey KDSBLHCXYSGIGF-KPKJPENVSA-N
Mol Weight 252.7 g/mol
Molecular Formula C13H13ClO3
Exact Mass 252.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0s98Vv9lLF
Name (E)-3-Acetoxymethyl-4-(2'-chlorophenyl)-3-buten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClO3
InChI InChI=1S/C13H13ClO3/c1-9(15)12(8-17-10(2)16)7-11-5-3-4-6-13(11)14/h3-7H,8H2,1-2H3/b12-7+
InChIKey KDSBLHCXYSGIGF-KPKJPENVSA-N
Literature Reference DOI 10.1002/adsc.201600601
Molecular Weight 252.697 g/mol
SMILES CC(\C(=C\c1ccccc1Cl)COC(=O)C)=O
SPLASH splash10-066r-0960000000-2cf2375389bec60dcd30
Source of Spectrum ASC-358-3563-1b
Synonyms (E)-2-(2-chlorobenzylidene)-3-oxobutyl acetate
Wiley ID 1803419