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N-[Methyl(oxo)(phenyl)-lamda6-sulfaneylidene]-3-(4-nitrophenyl)propiolamide
SpectraBase Compound ID 6uN7VFy3yP9
InChI InChI=1S/C16H12N2O4S/c1-23(22,15-5-3-2-4-6-15)17-16(19)12-9-13-7-10-14(11-8-13)18(20)21/h2-8,10-11H,1H3
InChIKey IRHAUIJLHGJDSB-UHFFFAOYSA-N
Mol Weight 328.34 g/mol
Molecular Formula C16H12N2O4S
Exact Mass 328.051778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HkB6UuCfRJ8
Name N-[Methyl(oxo)(phenyl)-lamda6-sulfaneylidene]-3-(4-nitrophenyl)propiolamide
Appearance Orange oil
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Formula C16H12N2O4S
InChI InChI=1S/C16H12N2O4S/c1-23(22,15-5-3-2-4-6-15)17-16(19)12-9-13-7-10-14(11-8-13)18(20)21/h2-8,10-11H,1H3
InChIKey IRHAUIJLHGJDSB-UHFFFAOYSA-N
Instrument Name Finnigan SSQ-7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202001440
Molecular Weight 328.342 g/mol
Reported Formula C16H12N2O4S
SMILES c1cc(ccc1)S(=NC(C#Cc1ccc(cc1)[N+]([O-])=O)=O)(C)=O
SPLASH splash10-002f-7900000000-f75925f5eb001c16113f
Source of Spectrum ASC-363-SM14-2ga
Wiley ID 1856409