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4,4-bis(benzylsulfanyl)-1,1,1-trifluoro-but-3-en-2-one
SpectraBase Compound ID 9ptw1DetgM7
InChI InChI=1S/C18H15F3OS2/c19-18(20,21)16(22)11-17(23-12-14-7-3-1-4-8-14)24-13-15-9-5-2-6-10-15/h1-11H,12-13H2
InChIKey JVWPCKAMBZTYRK-UHFFFAOYSA-N
Mol Weight 368.43 g/mol
Molecular Formula C18H15F3OS2
Exact Mass 368.051642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7zHfCvkU2WF
Name 4,4-bis(benzylsulfanyl)-1,1,1-trifluoro-but-3-en-2-one
Appearance White fine needle-like solid
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Formula C18H15F3OS2
InChI InChI=1S/C18H15F3OS2/c19-18(20,21)16(22)11-17(23-12-14-7-3-1-4-8-14)24-13-15-9-5-2-6-10-15/h1-11H,12-13H2
InChIKey JVWPCKAMBZTYRK-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 368.432 g/mol
SMILES C(C(=O)C(F)(F)F)=C(SCc1ccccc1)SCc1ccccc1
SPLASH splash10-0006-9110000000-61c40fa2d7495ad7dd5c
Source of Spectrum CN101585790B
Wiley ID 1846971