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4-Methyl-5-thiazolylethyl acetate
SpectraBase Compound ID E258i170r34
InChI InChI=1S/C8H11NO2S/c1-6-8(12-5-9-6)3-4-11-7(2)10/h5H,3-4H2,1-2H3
InChIKey CRTCWNPLKVVXIX-UHFFFAOYSA-N
Mol Weight 185.24 g/mol
Molecular Formula C8H11NO2S
Exact Mass 185.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AYlMrLQkgL
Name Clomethiazole-M (-Cl,OH) AC
CAS Registry Number 94021-41-7
Classification Pharmaceutical drug metabolite derivative
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 185.051049770 u
Formula C8H11NO2S
InChI InChI=1S/C8H11NO2S/c1-6-8(12-5-9-6)3-4-11-7(2)10/h5H,3-4H2,1-2H3
InChIKey CRTCWNPLKVVXIX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 185.241 g/mol
Nominal Mass 185 u
Quality 995
Retention Index 1346
SMILES C1(=C(N=CS1)C)CCOC(=O)C
SPLASH splash10-002f-9500000000-ecd8664c64c66115a413
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Hemineurine AC MHT AC Sulfurol AC 5-Methyl-4-thiazoleethanol acetate
Technique GC/MS
Wiley ID DD2024_000732