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(-)-(1E,5Z)-(3S,4R)-4-ISOPROPYL-6-[(S)-N-METHYL-S-PHENYL-SULFONIMIDOYL]-1-PHENYL-HEXA-1,5-DIEN-3-OL
SpectraBase Compound ID Dq8aWdBq3AH
InChI InChI=1S/C22H27NO2S/c1-18(2)21(22(24)15-14-19-10-6-4-7-11-19)16-17-26(25,23-3)20-12-8-5-9-13-20/h4-18,21-22,24H,1-3H3/b15-14-,17-16+/t21-,22-,26?/m0/s1
InChIKey QJNALSJRBIHRKB-NECDGLRASA-N
Mol Weight 369.52 g/mol
Molecular Formula C22H27NO2S
Exact Mass 369.17625 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G8YixFw3i3U
Name (-)-(1E,5Z)-(3S,4R)-4-ISOPROPYL-6-[(S)-N-METHYL-S-PHENYL-SULFONIMIDOYL]-1-PHENYL-HEXA-1,5-DIEN-3-OL
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27NO2S
InChI InChI=1S/C22H27NO2S/c1-18(2)21(22(24)15-14-19-10-6-4-7-11-19)16-17-26(25,23-3)20-12-8-5-9-13-20/h4-18,21-22,24H,1-3H3/b15-14-,17-16+/t21-,22-,26?/m0/s1
InChIKey QJNALSJRBIHRKB-NECDGLRASA-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 369.522 g/mol
Sample ID 49029
Solvent CDCl3