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2-Methyl-3(2H)-isothiazolone
SpectraBase Compound ID JTseS3HE69m
InChI InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3
InChIKey BEGLCMHJXHIJLR-UHFFFAOYSA-N
Mol Weight 115.15 g/mol
Molecular Formula C4H5NOS
Exact Mass 115.009185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8H5aXlCyTgW
Name 2-Methyl-3(2H)-Isothiazolone
CAS Registry Number 2682-20-4
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 115.009184958 u
Formula C4H5NOS
InChI InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3
InChIKey BEGLCMHJXHIJLR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 115.150 g/mol
Nominal Mass 115 u
Quality 860
Retention Index 849
SMILES C1(N(SC=C1)C)=O
SPLASH splash10-0ap0-9200000000-b083fef06a07cc05ee13
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-methyl-1,2-thiazol-3(2H)-one
Technique GC/MS
Wiley ID DD2024_006961