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2-(benzylthio)-3-(2-ketocyclohexyl)propionic acid tert-butyl ester
SpectraBase Compound ID C7Cb8We9yL1
InChI InChI=1S/C20H28O3S/c1-20(2,3)23-19(22)18(13-16-11-7-8-12-17(16)21)24-14-15-9-5-4-6-10-15/h4-6,9-10,16,18H,7-8,11-14H2,1-3H3
InChIKey DKVOOBWNNROAFE-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C20H28O3S
Exact Mass 348.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCWsEuU89py
Name 2-(benzylthio)-3-(2-ketocyclohexyl)propionic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3S
InChI InChI=1S/C20H28O3S/c1-20(2,3)23-19(22)18(13-16-11-7-8-12-17(16)21)24-14-15-9-5-4-6-10-15/h4-6,9-10,16,18H,7-8,11-14H2,1-3H3
InChIKey DKVOOBWNNROAFE-UHFFFAOYSA-N
Molecular Weight 348.501 g/mol
SMILES C(C(CC1C(=O)CCCC1)SCc1ccccc1)(OC(C)(C)C)=O
SPLASH splash10-0596-9510000000-c2a958d0d0cba683b9c0
Synonyms 2-Benzylthio-3-(2-oxocyclohexyl)propionic acid, t-butyl ester 3-(2-oxocyclohexyl)-2-(phenylmethylthio)propanoic acid tert-butyl ester tert-Butyl 2-benzylsulfanyl-3-(2-oxocyclohexyl)propanoate tert-Butyl 3-(2-oxidanylidenecyclohexyl)-2-(phenylmethylsulfanyl)propanoate
Wiley ID 1486681