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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 pyiJ9jQ7U
Name Clomethiazole
CAS Registry Number 533-45-9
Classification Hypnotic
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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
SMILES Cc1c(scn1)CCCl
SPLASH splash10-03di-4900000000-d107eb4f4ca0dac1734c
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: P G U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_446