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3-(3-Bromophenyl)-N-[methyl(oxo)(phenyl)-lamda6-sulfaneylidene]propiolamide
SpectraBase Compound ID Lw4Fffj2SZc
InChI InChI=1S/C16H12BrNO2S/c1-21(20,15-8-3-2-4-9-15)18-16(19)11-10-13-6-5-7-14(17)12-13/h2-9,12H,1H3
InChIKey NOPXEUIEOBRXTH-UHFFFAOYSA-N
Mol Weight 362.24 g/mol
Molecular Formula C16H12BrNO2S
Exact Mass 360.977213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6JS6ENmVv4M
Name 3-(3-Bromophenyl)-N-[methyl(oxo)(phenyl)-lamda6-sulfaneylidene]propiolamide
Appearance Orange oil
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Formula C16H12BrNO2S
InChI InChI=1S/C16H12BrNO2S/c1-21(20,15-8-3-2-4-9-15)18-16(19)11-10-13-6-5-7-14(17)12-13/h2-9,12H,1H3
InChIKey NOPXEUIEOBRXTH-UHFFFAOYSA-N
Instrument Name Finnigan SSQ-7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202001440
Molecular Weight 362.241 g/mol
Reported Formula C16H12BrNO2S
SMILES c1cc(ccc1)S(=NC(C#Cc1cc(ccc1)Br)=O)(C)=O
SPLASH splash10-0a4i-0693000000-8432a995ba80103ecf35
Source of Spectrum ASC-363-SM17-2oa
Wiley ID 1856417