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4-Isothiazolecarbonitrile, 5-hydroxy-3-phenyl-
SpectraBase Compound ID DiGzgzQNDmk
InChI InChI=1S/C10H6N2OS/c11-6-8-9(12-14-10(8)13)7-4-2-1-3-5-7/h1-5,13H
InChIKey XJCCKRPAMNJQCQ-UHFFFAOYSA-N
Mol Weight 202.23 g/mol
Molecular Formula C10H6N2OS
Exact Mass 202.020084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2AbKZHU9f9L
Name 4-Isothiazolecarbonitrile, 5-hydroxy-3-phenyl-
CAS Registry Number 126938-70-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6N2OS
InChI InChI=1S/C10H6N2OS/c11-6-8-9(12-14-10(8)13)7-4-2-1-3-5-7/h1-5,13H
InChIKey XJCCKRPAMNJQCQ-UHFFFAOYSA-N
Molecular Weight 202.231 g/mol
SMILES Oc1c(c(ns1)-c1ccccc1)C#N
SPLASH splash10-0udi-2940000000-c0fa9d83f8a18ebef50a
Source of Spectrum B-42-1298-2
Synonyms 5-Hydroxy-3-phenyl-4-isothiazolecarbonitrile 5-Hydroxy-3-phenylisothiazole-4-carbonitrile
Wiley ID 1199403