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4-Isothiazolecarbonitrile, 5-chloro-3-phenyl-
SpectraBase Compound ID SN89wE1VAc
InChI InChI=1S/C10H5ClN2S/c11-10-8(6-12)9(13-14-10)7-4-2-1-3-5-7/h1-5H
InChIKey XVZHEHJRVLCBAM-UHFFFAOYSA-N
Mol Weight 220.68 g/mol
Molecular Formula C10H5ClN2S
Exact Mass 219.986197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3VElRDrZBEC
Name 4-Isothiazolecarbonitrile, 5-chloro-3-phenyl-
CAS Registry Number 19363-60-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H5ClN2S
InChI InChI=1S/C10H5ClN2S/c11-10-8(6-12)9(13-14-10)7-4-2-1-3-5-7/h1-5H
InChIKey XVZHEHJRVLCBAM-UHFFFAOYSA-N
Molecular Weight 220.677 g/mol
SMILES c1(nsc(c1C#N)Cl)-c1ccccc1
SPLASH splash10-00di-4290000000-3e78f8b2c924dfd88b17
Source of Spectrum JX-2015-6-11574
Synonyms 5-Chloro-3-phenyl-4-isothiazolecarbonitrile 5-Chloranyl-3-phenyl-1,2-thiazole-4-carbonitrile 5-Chloro-3-phenyl-1,2-thiazole-4-carbonitrile 5-Chloro-3-phenyl-isothiazole-4-carbonitrile 5-Chloro-4-cyano-3-phenylisothiazole 5-Chloro-3-phenylisothiazole-4-carbonitrile
Wiley ID 1731024