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Racemic 2-methyl-3-oxovaleric acid 4-oxopentyl thioester
SpectraBase Compound ID JxMJ9fORY4W
InChI InChI=1S/C11H18O3S/c1-4-10(13)9(3)11(14)15-7-5-6-8(2)12/h9H,4-7H2,1-3H3
InChIKey MYSKVEGRNNWQCQ-UHFFFAOYSA-N
Mol Weight 230.32 g/mol
Molecular Formula C11H18O3S
Exact Mass 230.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HH1I6cFY2DN
Name Racemic 2-methyl-3-oxovaleric acid 4-oxopentyl thioester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3S
InChI InChI=1S/C11H18O3S/c1-4-10(13)9(3)11(14)15-7-5-6-8(2)12/h9H,4-7H2,1-3H3
InChIKey MYSKVEGRNNWQCQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbic.201800799
Molecular Weight 230.322 g/mol
SMILES C(C(C(C(=O)SCCCC(C)=O)C)=O)C
SPLASH splash10-0a4i-9400000000-d3d294f2995ac66e77bf
Source of Spectrum CBC-20-SM5-2
Synonyms S-(4-oxopentyl) 2-methyl-3-oxopentanethioate
Wiley ID 1819374