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5-(Phenylthio)-1,1,1-trichloro-4-methoxy-3-penten-2-one
SpectraBase Compound ID YeSMRHaPGi
InChI InChI=1S/C12H11Cl3O2S/c1-17-9(7-11(16)12(13,14)15)8-18-10-5-3-2-4-6-10/h2-7H,8H2,1H3/b9-7-
InChIKey AVTVWCDWSHPUGJ-CLFYSBASSA-N
Mol Weight 325.64 g/mol
Molecular Formula C12H11Cl3O2S
Exact Mass 323.954534 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2r4GEZn5Cag
Name 5-(Phenylthio)-1,1,1-trichloro-4-methoxy-3-penten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11Cl3O2S
InChI InChI=1S/C12H11Cl3O2S/c1-17-9(7-11(16)12(13,14)15)8-18-10-5-3-2-4-6-10/h2-7H,8H2,1H3/b9-7-
InChIKey AVTVWCDWSHPUGJ-CLFYSBASSA-N
Molecular Weight 325.637 g/mol
SMILES C(C(\C=C\(CSc1ccccc1)OC)=O)(Cl)(Cl)Cl
SPLASH splash10-014i-0090000000-34cbbf9db2d964308b9d
Source of Spectrum SO-0-1963-1
Synonyms (3Z)-1,1,1-trichloro-4-methoxy-5-(phenylsulfanyl)-3-penten-2-one
Wiley ID 878767