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3-(4-Cyanophenyl)-N-[methyl(oxo)(phenyl)-lamda6-sulfaneylidene]propiolamide
SpectraBase Compound ID 7oF24f5a0QQ
InChI InChI=1S/C17H12N2O2S/c1-22(21,16-5-3-2-4-6-16)19-17(20)12-11-14-7-9-15(13-18)10-8-14/h2-10H,1H3
InChIKey QTRHBIWLJRRWTE-UHFFFAOYSA-N
Mol Weight 308.36 g/mol
Molecular Formula C17H12N2O2S
Exact Mass 308.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZp17rRCKuY
Name 3-(4-Cyanophenyl)-N-[methyl(oxo)(phenyl)-lamda6-sulfaneylidene]propiolamide
Appearance Orange oil
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Formula C17H12N2O2S
InChI InChI=1S/C17H12N2O2S/c1-22(21,16-5-3-2-4-6-16)19-17(20)12-11-14-7-9-15(13-18)10-8-14/h2-10H,1H3
InChIKey QTRHBIWLJRRWTE-UHFFFAOYSA-N
Instrument Name Finnigan SSQ-7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202001440
Molecular Weight 308.355 g/mol
Reported Formula C17H12N2O2S
SMILES c1cc(ccc1)S(=NC(C#Cc1ccc(cc1)C#N)=O)(C)=O
SPLASH splash10-0ue9-0980000000-758f1119aaecd6adb1be
Source of Spectrum ASC-363-SM14-2ha
Wiley ID 1856410