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2-Acetoxy-3-(4-Chlorobutyl)thio-2-penten-4-one
SpectraBase Compound ID HqvHUy8VfuS
InChI InChI=1S/C11H17ClO3S/c1-8(13)11(9(2)15-10(3)14)16-7-5-4-6-12/h4-7H2,1-3H3/b11-9+
InChIKey QAGMDOSOGSPPIM-PKNBQFBNSA-N
Mol Weight 264.77 g/mol
Molecular Formula C11H17ClO3S
Exact Mass 264.058693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14otJe4JbZ7
Name 2-Acetoxy-3-(4-Chlorobutyl)thio-2-penten-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17ClO3S
InChI InChI=1S/C11H17ClO3S/c1-8(13)11(9(2)15-10(3)14)16-7-5-4-6-12/h4-7H2,1-3H3/b11-9+
InChIKey QAGMDOSOGSPPIM-PKNBQFBNSA-N
Molecular Weight 264.767 g/mol
SMILES C\C(=C\(C(C)=O)SCCCCCl)OC(=O)C
SPLASH splash10-00dl-5390000000-6224f59c2d29744c0018
Source of Spectrum E1-38-228-2
Synonyms (1E)-2-[(4-chlorobutyl)sulfanyl]-1-methyl-3-oxo-1-butenyl acetate
Wiley ID 1518169