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[2-Oxo-4-(phenylthio)cyclohexyl]acetic acid, methyl ester
SpectraBase Compound ID 5MQ2aM2mKkG
InChI InChI=1S/C15H18O3S/c1-18-15(17)9-11-7-8-13(10-14(11)16)19-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKey YEWWUZWVVDQITG-UHFFFAOYSA-N
Mol Weight 278.37 g/mol
Molecular Formula C15H18O3S
Exact Mass 278.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FO9Dy1pD9fl
Name [2-Oxo-4-(phenylthio)cyclohexyl]acetic acid, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3S
InChI InChI=1S/C15H18O3S/c1-18-15(17)9-11-7-8-13(10-14(11)16)19-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKey YEWWUZWVVDQITG-UHFFFAOYSA-N
Molecular Weight 278.366 g/mol
SMILES C1(=O)CC(CCC1CC(=O)OC)Sc1ccccc1
SPLASH splash10-000i-9600000000-9b6573188188491be734
Synonyms 2-[2-keto-4-(phenylthio)cyclohexyl]acetic acid methyl ester 2-[2-oxo-4-(phenylthio)cyclohexyl]acetic acid methyl ester Methyl 2-(2-oxidanylidene-4-phenylsulfanyl-cyclohexyl)ethanoate Methyl 2-(2-oxo-4-phenylsulfanyl-cyclohexyl)acetate
Wiley ID 1483464