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S-METHYLISOPENTANTHIOATE
SpectraBase Compound ID 4wPOvaPI4IN
InChI InChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
InChIKey MPLWTJZAFOVXKP-UHFFFAOYSA-N
Mol Weight 132.22 g/mol
Molecular Formula C6H12OS
Exact Mass 132.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cFTcWBbkM2
Name S-Methyl 3-methylbutanethioate
CAS Registry Number 23747-45-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12OS
InChI InChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
InChIKey MPLWTJZAFOVXKP-UHFFFAOYSA-N
Molecular Weight 132.221 g/mol
SMILES C(=O)(SC)CC(C)C
SPLASH splash10-0a73-9000000000-ff4f50a42e42822c8e17
Source of Spectrum W5-1989-33897-31639
Synonyms 3-Methylbutanethioic acid S-methyl ester Butanethioic acid, 3-methyl-, S-methyl ester Methanethiol isovalerate EINECS 245-863-6
Wiley ID 1133691