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(R)/(S)-S-[1-METHYL-1-(2-OXOETHYL)-BUTYL]-ETHANTIOATE
SpectraBase Compound ID 7dhOrhIXSxX
InChI InChI=1S/C9H16O2S/c1-4-5-9(3,6-7-10)12-8(2)11/h7H,4-6H2,1-3H3
InChIKey XFFHEJZAYGGELX-UHFFFAOYSA-N
Mol Weight 188.28 g/mol
Molecular Formula C9H16O2S
Exact Mass 188.087101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FprvD7DeKtx
Name (R)/(S)-S-[1-METHYL-1-(2-OXOETHYL)-BUTYL]-ETHANTIOATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H16O2S
InChI InChI=1S/C9H16O2S/c1-4-5-9(3,6-7-10)12-8(2)11/h7H,4-6H2,1-3H3
InChIKey XFFHEJZAYGGELX-UHFFFAOYSA-N
Literature Reference Author M.TROCCAZ,C.STARKENMANN,Y.NICLASS,M.V.D.WAAL,A.J.CLARK
Literature Reference Citation CHEM.BIODIV.,1,1022(2004)
Literature Reference DOI 10.1002/cbdv.200490077
Molecular Weight 188.285 g/mol
Solvent CDCl3
Source File Reference UWLU21669