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(-)-[RS,1Z,N(1S),3S,4S]-N-[1-(HYDROXYMETHYL)-2-METHYLPROPYL]-3-METHYL-4-PHENYL-1-(4-METHYLPHENYLSULFONIMIDOYL)-1-BUTENE-4-OL

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(-)-[RS,1Z,N(1S),3S,4S]-N-[1-(HYDROXYMETHYL)-2-METHYLPROPYL]-3-METHYL-4-PHENYL-1-(4-METHYLPHENYLSULFONIMIDOYL)-1-BUTENE-4-OL
SpectraBase Compound ID LkdoNG8GokL
InChI InChI=1S/C23H31NO3S/c1-17(2)22(16-25)24-28(27,21-12-10-18(3)11-13-21)15-14-19(4)23(26)20-8-6-5-7-9-20/h5-15,17,19,22-23,25-26H,16H2,1-4H3/b15-14-/t19-,22-,23-,28?/m0/s1
InChIKey ZNIABNBZGKBOGV-JLBISPBLSA-N
Mol Weight 401.57 g/mol
Molecular Formula C23H31NO3S
Exact Mass 401.202465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JjqaCsaNZMf
Name (-)-[RS,1Z,N(1S),3S,4S]-N-[1-(HYDROXYMETHYL)-2-METHYLPROPYL]-3-METHYL-4-PHENYL-1-(4-METHYLPHENYLSULFONIMIDOYL)-1-BUTENE-4-OL
Compound Number 20E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H31NO3S
InChI InChI=1S/C23H31NO3S/c1-17(2)22(16-25)24-28(27,21-12-10-18(3)11-13-21)15-14-19(4)23(26)20-8-6-5-7-9-20/h5-15,17,19,22-23,25-26H,16H2,1-4H3/b15-14-/t19-,22-,23-,28?/m0/s1
InChIKey ZNIABNBZGKBOGV-JLBISPBLSA-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 401.564 g/mol
Sample ID 45884
Solvent CDCl3