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Isothiazole, 4-phenyl-
SpectraBase Compound ID 1zA7fwZNSw6
InChI InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-7H
InChIKey RAUUYMXHIUAZCW-UHFFFAOYSA-N
Mol Weight 161.22 g/mol
Molecular Formula C9H7NS
Exact Mass 161.02992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8uHtpfOJege
Name Isothiazole, 4-phenyl-
Alternate Name(s) 4-phenyl-1,2-thiazole 4-Phenylisothiazole
CAS Registry Number 936-46-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NS
InChI InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-7H
InChIKey RAUUYMXHIUAZCW-UHFFFAOYSA-N
Molecular Weight 161.222 g/mol
SMILES c1(csnc1)-c1ccccc1
SPLASH splash10-03e9-0900000000-73b860e665e25d6fe1bd
Source of Spectrum C-116-2300-5
Wiley ID 1157710