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(1S*,2R*)-2-BUTYL-2-METHYL-1-PHENYL-3-(4-METHYLPHENYLSULFINYL)-1-(4-METHYLPHENYLAMINE)-3-BUTENE
SpectraBase Compound ID BqUKQfKzhTg
InChI InChI=1S/C29H35NO3S2/c1-6-7-21-29(5,24(4)34(31)26-17-13-22(2)14-18-26)28(25-11-9-8-10-12-25)30-35(32,33)27-19-15-23(3)16-20-27/h8-20,28,30H,4,6-7,21H2,1-3,5H3/t28-,29?,34?/m0/s1
InChIKey FDXYEGXYJNDFJE-VJVUOHSHSA-N
Mol Weight 509.7 g/mol
Molecular Formula C29H35NO3S2
Exact Mass 509.205836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J75HRYRahuR
Name (1S*,2R*)-2-BUTYL-2-METHYL-1-PHENYL-3-(4-METHYLPHENYLSULFINYL)-1-(4-METHYLPHENYLAMINE)-3-BUTENE
Compound Number 7H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H35NO3S2
InChI InChI=1S/C29H35NO3S2/c1-6-7-21-29(5,24(4)34(31)26-17-13-22(2)14-18-26)28(25-11-9-8-10-12-25)30-35(32,33)27-19-15-23(3)16-20-27/h8-20,28,30H,4,6-7,21H2,1-3,5H3/t28-,29?,34?/m0/s1
InChIKey FDXYEGXYJNDFJE-VJVUOHSHSA-N
Literature Reference Author G.SKLUTE,D.AMSALLEM,A.SHABLI,J.P.VARGHESE,I.MAREK
Literature Reference Citation J.AM.CHEM.SOC.,125,11776(2003)
Literature Reference DOI 10.1021/ja036872t
Molecular Weight 509.722 g/mol
Sample ID 50589
Solvent CDCl3