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N-[(4-Cyanophenyl)(methyl)(oxo)-lamda6-sulfaneylidene]-3-phenylpropiolamide
SpectraBase Compound ID FYVPA1n6AtI
InChI InChI=1S/C17H12N2O2S/c1-22(21,16-10-7-15(13-18)8-11-16)19-17(20)12-9-14-5-3-2-4-6-14/h2-8,10-11H,1H3
InChIKey SUCIDYMKQRROBZ-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 ZeLTg38Vs
Name N-[(4-Cyanophenyl)(methyl)(oxo)-lamda6-sulfaneylidene]-3-phenylpropiolamide
Appearance Orange oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12N2O2S
InChI InChI=1S/C17H12N2O2S/c1-22(21,16-10-7-15(13-18)8-11-16)19-17(20)12-9-14-5-3-2-4-6-14/h2-8,10-11H,1H3
InChIKey SUCIDYMKQRROBZ-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(ccc1C#N)S(=NC(C#Cc1ccccc1)=O)(C)=O
SPLASH splash10-0v03-0790000000-def20afd07601828cc23
Source of Spectrum ASC-363-SM7-2ah
Wiley ID 1856393