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N-[Methyl(oxo)(phenyl)-lamda6-sulfaneylidene]-3-[4-(trifluoromethyl)phenyl]propiolamide
SpectraBase Compound ID 6DfQnGrnIHF
InChI InChI=1S/C17H12F3NO2S/c1-24(23,15-5-3-2-4-6-15)21-16(22)12-9-13-7-10-14(11-8-13)17(18,19)20/h2-8,10-11H,1H3
InChIKey AHUKROFBCLPZPG-UHFFFAOYSA-N
Mol Weight 351.34 g/mol
Molecular Formula C17H12F3NO2S
Exact Mass 351.054084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1P71c2zR4Qe
Name N-[Methyl(oxo)(phenyl)-lamda6-sulfaneylidene]-3-[4-(trifluoromethyl)phenyl]propiolamide
Appearance Orange oil
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Formula C17H12F3NO2S
InChI InChI=1S/C17H12F3NO2S/c1-24(23,15-5-3-2-4-6-15)21-16(22)12-9-13-7-10-14(11-8-13)17(18,19)20/h2-8,10-11H,1H3
InChIKey AHUKROFBCLPZPG-UHFFFAOYSA-N
Instrument Name Finnigan SSQ-7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202001440
Molecular Weight 351.343 g/mol
Reported Formula C17H12F3NO2S
SMILES c1cc(ccc1)S(=NC(C#Cc1ccc(cc1)C(F)(F)F)=O)(C)=O
SPLASH splash10-0005-3921000000-045e3e79a72b8bc8fafe
Source of Spectrum ASC-363-SM15-2ia
Wiley ID 1856411