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Clomethiazole-M (2-OH)
SpectraBase Compound ID CA4m8oxpUke
InChI InChI=1S/C6H8ClNOS/c1-4-5(2-3-7)10-6(9)8-4/h2-3H2,1H3,(H,8,9)
InChIKey HJLZTYJNTROXOS-UHFFFAOYSA-N
Mol Weight 177.65 g/mol
Molecular Formula C6H8ClNOS
Exact Mass 177.001513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IhewNF6qv2
Name Clomethiazole-M (2-OH)
CAS Registry Number 42261-30-3
Classification Pharmaceutical drug metabolite
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 177.001512755 u
Formula C6H8ClNOS
InChI InChI=1S/C6H8ClNOS/c1-4-5(2-3-7)10-6(9)8-4/h2-3H2,1H3,(H,8,9)
InChIKey HJLZTYJNTROXOS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 177.649 g/mol
Nominal Mass 177 u
Quality 852
Retention Index 1240
SMILES OC=1SC(=C(N1)C)CCCl
SPLASH splash10-004i-3900000000-fab807b68c75c1d49efc
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-Hydroxy-4-methyl-5-chloroethyl-thiazole
Technique GC/MS
Wiley ID DD2024_000737