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Methyl 4-(methylthio)butyrate
SpectraBase Compound ID GrU51RhYkvl
InChI InChI=1S/C6H12O2S/c1-8-6(7)4-3-5-9-2/h3-5H2,1-2H3
InChIKey HQDLZISNHUMXEA-UHFFFAOYSA-N
Mol Weight 148.22 g/mol
Molecular Formula C6H12O2S
Exact Mass 148.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnenfGGfc3s
Name Methyl-4-methylthio butyrate
CAS Registry Number 24310-22-3
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 148.055800798 u
Formula C6H12O2S
InChI InChI=1S/C6H12O2S/c1-8-6(7)4-3-5-9-2/h3-5H2,1-2H3
InChIKey HQDLZISNHUMXEA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 148.220 g/mol
Nominal Mass 148 u
Quality 816
Retention Index 970
SMILES C(CCCSC)(OC)=O
SPLASH splash10-02mj-9300000000-6b0d071af040db3d4096
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms methyl 4-methylthiobutanoate
Technique GC/MS
Wiley ID DD2024_007049