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(3R,4S,R(S))-4-HYDROXY-3-METHYL-1-(PARA-TOLYLSULFINYL)-NONAN-2-ONE
SpectraBase Compound ID 29vZNUuVK9j
InChI InChI=1S/C17H26O3S/c1-4-5-6-7-16(18)14(3)17(19)12-21(20)15-10-8-13(2)9-11-15/h8-11,14,16,18H,4-7,12H2,1-3H3/t14-,16+,21?/m1/s1
InChIKey CAOWFOFNHRAQHM-AFSHEKGVSA-N
Mol Weight 310.45 g/mol
Molecular Formula C17H26O3S
Exact Mass 310.160266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AJJ68D73dYY
Name (3R,4S,R(S))-4-HYDROXY-3-METHYL-1-(PARA-TOLYLSULFINYL)-NONAN-2-ONE
Compound Number 4H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H26O3S
InChI InChI=1S/C17H26O3S/c1-4-5-6-7-16(18)14(3)17(19)12-21(20)15-10-8-13(2)9-11-15/h8-11,14,16,18H,4-7,12H2,1-3H3/t14-,16+,21?/m1/s1
InChIKey CAOWFOFNHRAQHM-AFSHEKGVSA-N
Literature Reference Author F.COLOBERT,M.OBRINGER,G.SOLLADIE
Literature Reference Citation EUR.J.ORG.CHEM.,1455(2006)
Molecular Weight 310.452 g/mol
Sample ID 31986
Solvent CDCl3