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4-Isothiazolecarbonitrile, 5-methyl-3-phenyl-

View entire compound with spectra: 1 MS (GC)

4-Isothiazolecarbonitrile, 5-methyl-3-phenyl-
SpectraBase Compound ID Cfsg1xy9rUg
InChI InChI=1S/C11H8N2S/c1-8-10(7-12)11(13-14-8)9-5-3-2-4-6-9/h2-6H,1H3
InChIKey YTFPCDXTBRASGJ-UHFFFAOYSA-N
Mol Weight 200.26 g/mol
Molecular Formula C11H8N2S
Exact Mass 200.040819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYVDvpiXmrE
Name 4-Isothiazolecarbonitrile, 5-methyl-3-phenyl-
Alternate Name(s) 5-Methyl-3-phenyl-4-isothiazolecarbonitrile 5-Methyl-3-phenyl-1,2-thiazole-4-carbonitrile 5-Methyl-3-phenyl-isothiazole-4-carbonitrile
CAS Registry Number 13950-63-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N2S
InChI InChI=1S/C11H8N2S/c1-8-10(7-12)11(13-14-8)9-5-3-2-4-6-9/h2-6H,1H3
InChIKey YTFPCDXTBRASGJ-UHFFFAOYSA-N
Molecular Weight 200.259 g/mol
SMILES Cc1c(C#N)c(-c2ccccc2)ns1
SPLASH splash10-0udi-9650000000-aae6bf52618d8c048b7f
Source of Spectrum T-68-2091-0
Wiley ID 23444