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5-(4-Chlorophenyl)-1,1-bis(methylthio)-3-hydroxy-1,3-pentadien-5-one
SpectraBase Compound ID 8VNYuFShATX
InChI InChI=1S/C13H13ClO2S2/c1-17-13(18-2)8-11(15)7-12(16)9-3-5-10(14)6-4-9/h3-8,15H,1-2H3/b11-7-
InChIKey ASXVTAAISDRHPH-XFFZJAGNSA-N
Mol Weight 300.82 g/mol
Molecular Formula C13H13ClO2S2
Exact Mass 300.00455 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JqWvvbj8rao
Name 5-(4-Chlorophenyl)-1,1-bis(methylthio)-3-hydroxy-1,3-pentadien-5-one
Alternate Name(s) (2Z)-1-(4-chlorophenyl)-3-hydroxy-5,5-bis(methylsulfanyl)-2,4-pentadien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClO2S2
InChI InChI=1S/C13H13ClO2S2/c1-17-13(18-2)8-11(15)7-12(16)9-3-5-10(14)6-4-9/h3-8,15H,1-2H3/b11-7-
InChIKey ASXVTAAISDRHPH-XFFZJAGNSA-N
Molecular Weight 300.818 g/mol
SMILES O\C(C=C(SC)SC)=C/C(=O)c1ccc(cc1)Cl
SPLASH splash10-0uds-0960000000-2cab7f0c6728ef5dcd35
Source of Spectrum SO-0-874-3
Wiley ID 1539545