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3-Iodo-5-phenyl-isothiazole-4-carbonitrile
SpectraBase Compound ID 3Z0ZhvurJvh
InChI InChI=1S/C10H5IN2S/c11-10-8(6-12)9(14-13-10)7-4-2-1-3-5-7/h1-5H
InChIKey XQLLZPBDWXAPTP-UHFFFAOYSA-N
Mol Weight 312.13 g/mol
Molecular Formula C10H5IN2S
Exact Mass 311.921814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKf4zqYs94H
Name 3-Iodo-5-phenyl-isothiazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H5IN2S
InChI InChI=1S/C10H5IN2S/c11-10-8(6-12)9(14-13-10)7-4-2-1-3-5-7/h1-5H
InChIKey XQLLZPBDWXAPTP-UHFFFAOYSA-N
Molecular Weight 312.128 g/mol
SMILES c1(c(snc1I)-c1ccccc1)C#N
SPLASH splash10-03di-2609000000-b7475c25e5486d751fb4
Source of Spectrum F5-4-3691-28
Synonyms 3-Iodo-5-phenylisothiazole-4-carbonitrile 3-Iodo-5-phenyl-4-isothiazolecarbonitrile 3-Iodo-5-phenyl-1,2-thiazole-4-carbonitrile 3-Iodanyl-5-phenyl-1,2-thiazole-4-carbonitrile
Wiley ID 1733000