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5-(2-Chlorophenyl)-1,1-bis(methylthio)-3-hydroxy-1,3-pentadien-5-one
SpectraBase Compound ID 3MLgpbXwxir
InChI InChI=1S/C13H13ClO2S2/c1-17-13(18-2)8-9(15)7-12(16)10-5-3-4-6-11(10)14/h3-8,15H,1-2H3/b9-7-
InChIKey FXRBYSUPIVYAFZ-CLFYSBASSA-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 6no48xqktk7
Name 5-(2-Chlorophenyl)-1,1-bis(methylthio)-3-hydroxy-1,3-pentadien-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClO2S2
InChI InChI=1S/C13H13ClO2S2/c1-17-13(18-2)8-9(15)7-12(16)10-5-3-4-6-11(10)14/h3-8,15H,1-2H3/b9-7-
InChIKey FXRBYSUPIVYAFZ-CLFYSBASSA-N
Molecular Weight 300.818 g/mol
SMILES O\C(C=C(SC)SC)=C/C(=O)c1c(cccc1)Cl
SPLASH splash10-0uds-0970000000-84c7681dbd9fee30db27
Source of Spectrum SO-0-874-3
Synonyms (2Z)-1-(2-chlorophenyl)-3-hydroxy-5,5-bis(methylsulfanyl)-2,4-pentadien-1-one
Wiley ID 1539542