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N-[(4-Chlorophenyl)(methyl)(oxo)-lamda6-sulfaneylidene]-3-phenylpropiolamide
SpectraBase Compound ID 6OxD59CQyut
InChI InChI=1S/C16H12ClNO2S/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 WKMJWUFOROLRPN-UHFFFAOYSA-N
Mol Weight 317.79 g/mol
Molecular Formula C16H12ClNO2S
Exact Mass 317.027728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID v4QvVeqv5O
Name N-[(4-Chlorophenyl)(methyl)(oxo)-lamda6-sulfaneylidene]-3-phenylpropiolamide
Appearance Orange oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12ClNO2S
InChI InChI=1S/C16H12ClNO2S/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 WKMJWUFOROLRPN-UHFFFAOYSA-N
Instrument Name Finnigan SSQ-7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202001440
Molecular Weight 317.790 g/mol
Reported Formula C16H12ClNO2S
SMILES c1cc(ccc1Cl)S(=NC(C#Cc1ccccc1)=O)(C)=O
SPLASH splash10-056r-0910000000-6f17371e072ecf53faae
Source of Spectrum ASC-363-SM6-2ae
Wiley ID 1856390