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Clomethiazole
SpectraBase Compound ID BbE611V61NU
InChI InChI=1S/C6H8ClNS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3
InChIKey PCLITLDOTJTVDJ-UHFFFAOYSA-N
Mol Weight 161.65 g/mol
Molecular Formula C6H8ClNS
Exact Mass 161.006598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Hb09xkM2G8
Name Clomethiazole
CAS Registry Number 533-45-9
Classification Pharmaceutical drug, hypnotic sedative
Comments Spectrum verified by crosschecking against external libraries (two 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 161.006598136 u
Formula C6H8ClNS
InChI InChI=1S/C6H8ClNS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3
InChIKey PCLITLDOTJTVDJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 161.650 g/mol
Nominal Mass 161 u
Quality 980
Retention Index 1230
SMILES C1(=C(N=CS1)C)CCCl
SPLASH splash10-03di-7900000000-8b2d8c79b7ec19bf7b9b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Chlormethiazole 5-(2-Chloroethyl)-4-methyl-1,3-thiazole
Technique GC/MS
Wiley ID DD2024_022717