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(2R*,2'S*,3R*)-3,5-DIMETHYL-2-[2-METHYL-1-(PHENYLTHIO)-PROPYL]-2,3-DIHYDRO-4H-PYRAN-4-ONE
SpectraBase Compound ID 3dMOs5v5PGv
InChI InChI=1S/C17H22O2S/c1-11(2)17(20-14-8-6-5-7-9-14)16-13(4)15(18)12(3)10-19-16/h5-11,13,16-17H,1-4H3/t13-,16+,17+/m1/s1
InChIKey PTMCHEAYSOADTE-COXVUDFISA-N
Mol Weight 290.42 g/mol
Molecular Formula C17H22O2S
Exact Mass 290.134051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FlW3Rhl3gym
Name (2R*,2'S*,3R*)-3,5-DIMETHYL-2-[2-METHYL-1-(PHENYLTHIO)-PROPYL]-2,3-DIHYDRO-4H-PYRAN-4-ONE
CAS Registry Number 140928-88-7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22O2S
InChI InChI=1S/C17H22O2S/c1-11(2)17(20-14-8-6-5-7-9-14)16-13(4)15(18)12(3)10-19-16/h5-11,13,16-17H,1-4H3/t13-,16+,17+/m1/s1
InChIKey PTMCHEAYSOADTE-COXVUDFISA-N
Literature Reference Author R.ANNUNZIATA,M.CINQUINI,F.COZZI,P.G.COZZI,L.RAIMONDI
Literature Reference Citation J.ORG.CHEM.,57,3605(1992)
Literature Reference DOI 10.1021/jo00039a019
Molecular Weight 290.420 g/mol
Solvent CDCl3
Source File Reference UWCS725