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(-)-(Z)-(1R,2R)-2-CYCLOHEXYL-4-[(S)-N-METHYL-S-PHENYL-SULFONIMIDOYL]-1-(4-BROMOPHENYL)-BUT-3-EN-1-OL
SpectraBase Compound ID KIm4PnOCl1f
InChI InChI=1S/C23H28BrNO2S/c1-25-28(27,21-10-6-3-7-11-21)17-16-22(18-8-4-2-5-9-18)23(26)19-12-14-20(24)15-13-19/h3,6-7,10-18,22-23,26H,2,4-5,8-9H2,1H3/b17-16-/t22-,23+,28?/m1/s1
InChIKey XFXKEOHDDLVRKW-UPIHHYMCSA-N
Mol Weight 462.45 g/mol
Molecular Formula C23H28BrNO2S
Exact Mass 461.102413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9gRHJAboDha
Name (-)-(Z)-(1R,2R)-2-CYCLOHEXYL-4-[(S)-N-METHYL-S-PHENYL-SULFONIMIDOYL]-1-(4-BROMOPHENYL)-BUT-3-EN-1-OL
Compound Number 2G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H28BrNO2S
InChI InChI=1S/C23H28BrNO2S/c1-25-28(27,21-10-6-3-7-11-21)17-16-22(18-8-4-2-5-9-18)23(26)19-12-14-20(24)15-13-19/h3,6-7,10-18,22-23,26H,2,4-5,8-9H2,1H3/b17-16-/t22-,23+,28?/m1/s1
InChIKey XFXKEOHDDLVRKW-UPIHHYMCSA-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 462.445 g/mol
Sample ID 49031
Solvent CDCl3