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N-[(3-Bromophenyl)(methyl)(oxo)-lamda6-sulfaneylidene]-3-phenylpropiolamide
SpectraBase Compound ID 2lEoMyWZ3j8
InChI InChI=1S/C16H12BrNO2S/c1-21(20,15-9-5-8-14(17)12-15)18-16(19)11-10-13-6-3-2-4-7-13/h2-9,12H,1H3
InChIKey FXROXLKNONGSGF-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 KFBuCzkQOA8
Name N-[(3-Bromophenyl)(methyl)(oxo)-lamda6-sulfaneylidene]-3-phenylpropiolamide
Appearance Orange oil
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Formula C16H12BrNO2S
InChI InChI=1S/C16H12BrNO2S/c1-21(20,15-9-5-8-14(17)12-15)18-16(19)11-10-13-6-3-2-4-7-13/h2-9,12H,1H3
InChIKey FXROXLKNONGSGF-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 c1(cc(ccc1)S(=NC(C#Cc1ccccc1)=O)(C)=O)Br
SPLASH splash10-0m29-0490000000-622ae067b2cff74015d7
Source of Spectrum ASC-363-SM9-2am
Wiley ID 1856398