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(-)-(1E,5Z)-(3S,4R)-4-CYCLOHEXYL-6-[(S)-N-METHYL-S-PHENYL-SULFONIMIDOYL]-1-PHENYL-HEXA-1,5-DIEN-3-OL
SpectraBase Compound ID ApqEAMOWLu3
InChI InChI=1S/C25H31NO2S/c1-26-29(28,23-15-9-4-10-16-23)20-19-24(22-13-7-3-8-14-22)25(27)18-17-21-11-5-2-6-12-21/h2,4-6,9-12,15-20,22,24-25,27H,3,7-8,13-14H2,1H3/b18-17+,20-19-/t24-,25-,29?/m0/s1
InChIKey NSZKSDQGQUGTLW-RJTSGCCESA-N
Mol Weight 409.59 g/mol
Molecular Formula C25H31NO2S
Exact Mass 409.20755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CZL0iNXrKvK
Name (-)-(1E,5Z)-(3S,4R)-4-CYCLOHEXYL-6-[(S)-N-METHYL-S-PHENYL-SULFONIMIDOYL]-1-PHENYL-HEXA-1,5-DIEN-3-OL
Compound Number 2H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H31NO2S
InChI InChI=1S/C25H31NO2S/c1-26-29(28,23-15-9-4-10-16-23)20-19-24(22-13-7-3-8-14-22)25(27)18-17-21-11-5-2-6-12-21/h2,4-6,9-12,15-20,22,24-25,27H,3,7-8,13-14H2,1H3/b18-17+,20-19-/t24-,25-,29?/m0/s1
InChIKey NSZKSDQGQUGTLW-RJTSGCCESA-N
Literature Reference Author L.R.REDDY,H.J.GAIS,C.W.WOO,G.RAABE
Literature Reference Citation J.AM.CHEM.SOC.,124,10427(2002)
Literature Reference DOI 10.1021/ja020570u
Molecular Weight 409.587 g/mol
Sample ID 49032
Solvent CDCl3