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Methylthio-(3-oxocyclohexyl)acetic acid, methyl ester

View entire compound with spectra: 2 MS (GC)

Methylthio-(3-oxocyclohexyl)acetic acid, methyl ester
SpectraBase Compound ID Csr64KexELH
InChI InChI=1S/C10H16O3S/c1-13-10(12)9(14-2)7-4-3-5-8(11)6-7/h7,9H,3-6H2,1-2H3
InChIKey SPPJVVLVFWWXEL-UHFFFAOYSA-N
Mol Weight 216.29 g/mol
Molecular Formula C10H16O3S
Exact Mass 216.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSkhhBQWhVB
Name Methylthio-(3-oxocyclohexyl)acetic acid, methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O3S
InChI InChI=1S/C10H16O3S/c1-13-10(12)9(14-2)7-4-3-5-8(11)6-7/h7,9H,3-6H2,1-2H3
InChIKey SPPJVVLVFWWXEL-UHFFFAOYSA-N
Molecular Weight 216.295 g/mol
SMILES CSC(C1CC(CCC1)=O)C(=O)OC
SPLASH splash10-05g4-9400000000-fa3ec503bce889e501c4
Synonyms 2-(3-ketocyclohexyl)-2-(methylthio)acetic acid methyl ester 2-(methylthio)-2-(3-oxocyclohexyl)acetic acid methyl ester Methyl (methylsulfanyl)(3-oxocyclohexyl)acetate Methyl 2-methylsulfanyl-2-(3-oxidanylidenecyclohexyl)ethanoate Methyl 2-methylsulfanyl-2-(3-oxocyclohexyl)acetate
Wiley ID 1484766