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4-Isothiazolol, 3-phenyl-
SpectraBase Compound ID Enl5ORJmm7R
InChI InChI=1S/C9H7NOS/c11-8-6-12-10-9(8)7-4-2-1-3-5-7/h1-6,11H
InChIKey MQCCNIYQKZKEDY-UHFFFAOYSA-N
Mol Weight 177.22 g/mol
Molecular Formula C9H7NOS
Exact Mass 177.024835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Ja9Z1WacFW
Name 4-Isothiazolol, 3-phenyl-
CAS Registry Number 19389-31-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NOS
InChI InChI=1S/C9H7NOS/c11-8-6-12-10-9(8)7-4-2-1-3-5-7/h1-6,11H
InChIKey MQCCNIYQKZKEDY-UHFFFAOYSA-N
Molecular Weight 177.221 g/mol
SMILES Oc1csnc1-c1ccccc1
SPLASH splash10-0fb9-0900000000-ef1615f9f3c0a869c991
Source of Spectrum Y-22-1500-12
Synonyms 3-Phenyl-4-isothiazolol 3-phenyl-1,2-thiazol-4-ol 3-phenylisothiazol-4-ol
Wiley ID 1173053