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5-Phenyl-3-(phenylethynyl)-isothiazole-4-carbonitrile
SpectraBase Compound ID Fc9Wb0CCXht
InChI InChI=1S/C18H10N2S/c19-13-16-17(12-11-14-7-3-1-4-8-14)20-21-18(16)15-9-5-2-6-10-15/h1-10H
InChIKey UNGGCRFIWDCUAZ-UHFFFAOYSA-N
Mol Weight 286.35 g/mol
Molecular Formula C18H10N2S
Exact Mass 286.05647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9tOkHxI1Ef3
Name 5-Phenyl-3-(phenylethynyl)-isothiazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H10N2S
InChI InChI=1S/C18H10N2S/c19-13-16-17(12-11-14-7-3-1-4-8-14)20-21-18(16)15-9-5-2-6-10-15/h1-10H
InChIKey UNGGCRFIWDCUAZ-UHFFFAOYSA-N
Molecular Weight 286.352 g/mol
SMILES c1(c(snc1C#Cc1ccccc1)-c1ccccc1)C#N
SPLASH splash10-000i-1890000000-eaf560dac938bf9a3c94
Source of Spectrum F5-4-3692-54
Synonyms 5-Phenyl-3-(phenylethynyl)-isothiazole-4-carbonitrile) 5-Phenyl-3-(phenylethynyl)isothiazole-4-carbonitrile 5-Phenyl-3-(2-phenylethynyl)-4-isothiazolecarbonitrile 5-Phenyl-3-(2-phenylethynyl)-1,2-thiazole-4-carbonitrile
Wiley ID 1732994