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(Z)-3,4-Bis-(4-chloro-benzylsulfanyl)-1,1,1-trifluoro-but-3-en-2-one
SpectraBase Compound ID HtNOmYT6UJl
InChI InChI=1S/C18H13Cl2F3OS2/c19-14-5-1-12(2-6-14)9-25-11-16(17(24)18(21,22)23)26-10-13-3-7-15(20)8-4-13/h1-8,11H,9-10H2/b16-11-
InChIKey CTCHHRQULOJJOJ-WJDWOHSUSA-N
Mol Weight 437.32 g/mol
Molecular Formula C18H13Cl2F3OS2
Exact Mass 435.973697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ZWI24gf6xI
Name (Z)-3,4-Bis-(4-chloro-benzylsulfanyl)-1,1,1-trifluoro-but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13Cl2F3OS2
InChI InChI=1S/C18H13Cl2F3OS2/c19-14-5-1-12(2-6-14)9-25-11-16(17(24)18(21,22)23)26-10-13-3-7-15(20)8-4-13/h1-8,11H,9-10H2/b16-11-
InChIKey CTCHHRQULOJJOJ-WJDWOHSUSA-N
Literature Reference DOI 10.1002/cjoc.201090275
Molecular Weight 437.322 g/mol
SMILES C(S\C=C\(C(=O)C(F)(F)F)SCc1ccc(cc1)Cl)c1ccc(cc1)Cl
SPLASH splash10-004i-0900000000-3bc93f572cebccb763d5
Source of Spectrum CJC-28-1628-11c
Synonyms (Z)-3,4-bis((4-chlorobenzyl)thio)-1,1,1-trifluorobut-3-en-2-one
Wiley ID 1772434