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3-[4-Bromophenyl)-N-(methyl(oxo)(phenyl)-lamda6-sulfaneylidene]propiolamide
SpectraBase Compound ID EthB5payjRR
InChI InChI=1S/C16H12BrNO2S/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 ZWCFSDJQSNDGLM-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 VAchHR0U7W
Name 3-[4-Bromophenyl)-N-(methyl(oxo)(phenyl)-lamda6-sulfaneylidene]propiolamide
Appearance Orange oil
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Formula C16H12BrNO2S
InChI InChI=1S/C16H12BrNO2S/c1-21(20,15-5-3-2-4-6-15)18-16(19)12-9-13-7-10-14(17)11-8-13/h2-8,10-11H,1H3
InChIKey ZWCFSDJQSNDGLM-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#Cc1ccc(cc1)Br)=O)(C)=O
SPLASH splash10-0a4i-3980000000-16940894e9224a77e6f5
Source of Spectrum ASC-363-SM14-2fa
Wiley ID 1856408