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S-Methyl 4-oxohexanethioate
SpectraBase Compound ID GCvDYCzvLWP
InChI InChI=1S/C7H12O2S/c1-3-6(8)4-5-7(9)10-2/h3-5H2,1-2H3
InChIKey QDJKIMOPMWARMP-UHFFFAOYSA-N
Mol Weight 160.23 g/mol
Molecular Formula C7H12O2S
Exact Mass 160.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1xqx4VHBkp
Name S-Methyl 4-oxohexanethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2S
InChI InChI=1S/C7H12O2S/c1-3-6(8)4-5-7(9)10-2/h3-5H2,1-2H3
InChIKey QDJKIMOPMWARMP-UHFFFAOYSA-N
Molecular Weight 160.231 g/mol
SMILES C(CCC(CC)=O)(=O)SC
SPLASH splash10-03di-6900000000-c5bce164e2f56d07467a
Source of Spectrum F-53-1339-23
Synonyms 4-ketohexanethioic acid S-methyl ester 4-Oxohexanethioic acid S-methyl ester S-methyl 4-oxidanylidenehexanethioate
Wiley ID 800100