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N-[3-(4-Chlorophenyl)propioloyl]-S,S-methylphenyl sulfoximine
SpectraBase Compound ID 1KlTAc06C4E
InChI InChI=1S/C16H12ClNO2S/c1-21(20,15-5-3-2-4-6-15)18-16(19)12-9-13-7-10-14(17)11-8-13/h2-8,10-11H,1H3
InChIKey NIJVMWZHIZKRBD-UHFFFAOYSA-N
Mol Weight 317.79 g/mol
Molecular Formula C16H12ClNO2S
Exact Mass 317.027728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IkOaIoNmRzd
Name 3-(4-Chlorophenyl)-N-[methyl(oxo)(phenyl)-lamda6-sulfaneylidene]propiolamide
Appearance Orange oil
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Formula C16H12ClNO2S
InChI InChI=1S/C16H12ClNO2S/c1-21(20,15-5-3-2-4-6-15)18-16(19)12-9-13-7-10-14(17)11-8-13/h2-8,10-11H,1H3
InChIKey NIJVMWZHIZKRBD-UHFFFAOYSA-N
Instrument Name Finnigan SSQ-7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202001440
Molecular Weight 317.790 g/mol
Reported Formula C16H12ClNO2S
SMILES c1cc(ccc1)S(=NC(C#Cc1ccc(cc1)Cl)=O)(C)=O
SPLASH splash10-03dl-2920000000-e3af6f13e50b36bbdddf
Source of Spectrum ASC-363-SM13-2ea
Wiley ID 1856407