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(E)-3-Acetoxymethyl-4-(4'-chlorophenyl)-3-buten-2-one
SpectraBase Compound ID 2WBRA7XM3R5
InChI InChI=1S/C13H13ClO3/c1-9(15)12(8-17-10(2)16)7-11-3-5-13(14)6-4-11/h3-7H,8H2,1-2H3/b12-7+
InChIKey ZJPMCBWJKSDMAQ-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 DYzAT5SALlY
Name (E)-3-Acetoxymethyl-4-(4'-chlorophenyl)-3-buten-2-one
Alternate Name(s) (E)-2-(4-chlorobenzylidene)-3-oxobutyl acetate
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)7-11-3-5-13(14)6-4-11/h3-7H,8H2,1-2H3/b12-7+
InChIKey ZJPMCBWJKSDMAQ-KPKJPENVSA-N
Literature Reference DOI 10.1002/adsc.201600601
Molecular Weight 252.697 g/mol
SMILES CC(\C(=C\c1ccc(cc1)Cl)COC(=O)C)=O
SPLASH splash10-07bg-1930000000-6df12c51571e56866726
Source of Spectrum ASC-358-3563-1c
Wiley ID 1803420