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N-[(4-Bromophenyl)(methyl)(oxo)-lamda6-sulfaneylidene]-3-phenylpropiolamide
SpectraBase Compound ID 7CWMwn5ClRV
InChI InChI=1S/C16H12BrNO2S/c1-21(20,15-10-8-14(17)9-11-15)18-16(19)12-7-13-5-3-2-4-6-13/h2-6,8-11H,1H3
InChIKey MXTYGQLCHZQYRN-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 8yfnDB7ryyn
Name N-[(4-Bromophenyl)(methyl)(oxo)-lamda6-sulfaneylidene]-3-phenylpropiolamide
Appearance Orange oil
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Formula C16H12BrNO2S
InChI InChI=1S/C16H12BrNO2S/c1-21(20,15-10-8-14(17)9-11-15)18-16(19)12-7-13-5-3-2-4-6-13/h2-6,8-11H,1H3
InChIKey MXTYGQLCHZQYRN-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(ccc1Br)S(=NC(C#Cc1ccccc1)=O)(C)=O
SPLASH splash10-05i0-0980000000-401ddb0391f993ea7b1d
Source of Spectrum ASC-363-SM6-2af
Wiley ID 1856391