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(-)-[SS,1Z,N(1S),4R]-N-[1-(HYDROXYMETHYL)-2-METHYLPROPYL]-4-CYCLOHEXYL-1-(4-METHYLPHENYLSULFONIMIDOYL)-1-BUTENE-4-OL
SpectraBase Compound ID JQR0rXI7GA6
InChI InChI=1S/C22H35NO3S/c1-17(2)21(16-24)23-27(26,20-13-11-18(3)12-14-20)15-7-10-22(25)19-8-5-4-6-9-19/h7,11-15,17,19,21-22,24-25H,4-6,8-10,16H2,1-3H3/b15-7-/t21-,22+,27?/m0/s1
InChIKey AORQPTRTKQEPBY-YVAWBITBSA-N
Mol Weight 393.6 g/mol
Molecular Formula C22H35NO3S
Exact Mass 393.233765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J6gkd6jDNDu
Name (-)-[SS,1Z,N(1S),4R]-N-[1-(HYDROXYMETHYL)-2-METHYLPROPYL]-4-CYCLOHEXYL-1-(4-METHYLPHENYLSULFONIMIDOYL)-1-BUTENE-4-OL
Compound Number 17C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H35NO3S
InChI InChI=1S/C22H35NO3S/c1-17(2)21(16-24)23-27(26,20-13-11-18(3)12-14-20)15-7-10-22(25)19-8-5-4-6-9-19/h7,11-15,17,19,21-22,24-25H,4-6,8-10,16H2,1-3H3/b15-7-/t21-,22+,27?/m0/s1
InChIKey AORQPTRTKQEPBY-YVAWBITBSA-N
Literature Reference Author M.REGGELIN,H.WEINBERGER,M.GERLACH,R.WELCKER
Literature Reference Citation J.AM.CHEM.SOC.,118,4765(1996)
Literature Reference DOI 10.1021/ja9530735
Molecular Weight 393.585 g/mol
Sample ID 45877
Solvent CDCl3