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(1'S*,2'E,3R*)-3-[3'-(METHYLTHIO)-1'-PENTYL-PROP-2'-ENYL]-BUTAN-4-OLIDE
SpectraBase Compound ID CKOgkdD09jl
InChI InChI=1S/C13H22O2S/c1-3-4-5-6-11(7-8-16-2)12-9-13(14)15-10-12/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+/t11-,12?/m1/s1
InChIKey ZGRHNGVBYFNUAX-OMALCBQFSA-N
Mol Weight 242.38 g/mol
Molecular Formula C13H22O2S
Exact Mass 242.134051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Pqz09EwBP8
Name (1'S*,2'E,3R*)-3-[3'-(METHYLTHIO)-1'-PENTYL-PROP-2'-ENYL]-BUTAN-4-OLIDE
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H22O2S
InChI InChI=1S/C13H22O2S/c1-3-4-5-6-11(7-8-16-2)12-9-13(14)15-10-12/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+/t11-,12?/m1/s1
InChIKey ZGRHNGVBYFNUAX-OMALCBQFSA-N
Literature Reference Author R.K.HAYNES,P.A.SCHOBER,M.R.BINNS
Literature Reference Citation AUSTR.J.CHEM.,40,1223(1987)
Literature Reference DOI 10.1071/ch9871223
Molecular Weight 242.376 g/mol
Solvent Unknown
Source File Reference UWWR102