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Clomethiazole-M (1-OH) AC
SpectraBase Compound ID F5sVPLoUfDb
InChI InChI=1S/C8H10ClNO2S/c1-5-8(13-4-10-5)7(3-9)12-6(2)11/h4,7H,3H2,1-2H3
InChIKey MLLKFDTTZKRSAQ-UHFFFAOYSA-N
Mol Weight 219.69 g/mol
Molecular Formula C8H10ClNO2S
Exact Mass 219.012077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JImQ795C7km
Name Clomethiazole-M (1-OH) AC
Classification Pharmaceutical drug metabolite
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 219.012077438 u
Formula C8H10ClNO2S
InChI InChI=1S/C8H10ClNO2S/c1-5-8(13-4-10-5)7(3-9)12-6(2)11/h4,7H,3H2,1-2H3
InChIKey MLLKFDTTZKRSAQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 219.686 g/mol
Nominal Mass 219 u
Quality 885
Retention Index 1537
SMILES C1(C(OC(=O)C)CCl)=C(N=CS1)C
SPLASH splash10-004l-3900000000-a1cf3eaeae44c7580f5f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethyl acetate
Technique GC/MS
Wiley ID DD2024_013655