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4-Isothiazolol-d, 5-methyl-3-phenyl-
SpectraBase Compound ID 6G1jGEd3bZ7
InChI InChI=1S/C10H9NOS/c1-7-10(12)9(11-13-7)8-5-3-2-4-6-8/h2-6,12H,1H3/i/hD
InChIKey BCBUWIOOUTUFDR-DYCDLGHISA-N
Mol Weight 192.25 g/mol
Molecular Formula C10H82DNOS
Exact Mass 192.046762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDcGfdn2Wdd
Name 4-Isothiazolol-d, 5-methyl-3-phenyl-
Alternate Name(s) 4-Hydroxy-D1-5-methyl-3-phenylisothiazole
CAS Registry Number 21905-51-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8DNOS
InChI InChI=1S/C10H9NOS/c1-7-10(12)9(11-13-7)8-5-3-2-4-6-8/h2-6,12H,1H3/i/hD
InChIKey BCBUWIOOUTUFDR-DYCDLGHISA-N
Molecular Weight 192.254 g/mol
SMILES c1(nsc(c1O[2D])C)-c1ccccc1
SPLASH splash10-0a4l-6900000000-102ed69fcbc3d92ca9c7
Source of Spectrum T-68-1754-0
Wiley ID 20907