For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N-[2-(S)-(3,4-DICHLOROPHENYL)-4-[4-[(S)-2-METHYLSULFINYLPHENYL]-1-PIPERIDINYL]-BUTYL]-N-METHYL-3-CYANO-4-FLUORO-1-NAPHTHAMIDE-CITRATE-HYDRATE
SpectraBase Compound ID EsTcIAgB5qr
InChI InChI=1S/C35H34Cl2FN3O2S/c1-40(35(42)30-19-26(21-39)34(38)29-9-4-3-8-28(29)30)22-25(24-11-12-31(36)32(37)20-24)15-18-41-16-13-23(14-17-41)27-7-5-6-10-33(27)44(2)43/h3-12,19-20,23,25H,13-18,22H2,1-2H3/t25-,44?/m1/s1
InChIKey UVHGUYSARRYVMH-RAFHQAEPSA-N
Mol Weight 650.6 g/mol
Molecular Formula C35H34Cl2FN3O2S
Exact Mass 649.173282 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Aui9NWpFk2T
Name N-[2-(S)-(3,4-DICHLOROPHENYL)-4-[4-[(S)-2-METHYLSULFINYLPHENYL]-1-PIPERIDINYL]-BUTYL]-N-METHYL-3-CYANO-4-FLUORO-1-NAPHTHAMIDE-CITRATE-HYDRATE
Compound Number 37F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H34Cl2FN3O2S
InChI InChI=1S/C35H34Cl2FN3O2S/c1-40(35(42)30-19-26(21-39)34(38)29-9-4-3-8-28(29)30)22-25(24-11-12-31(36)32(37)20-24)15-18-41-16-13-23(14-17-41)27-7-5-6-10-33(27)44(2)43/h3-12,19-20,23,25H,13-18,22H2,1-2H3/t25-,44?/m1/s1
InChIKey UVHGUYSARRYVMH-RAFHQAEPSA-N
Literature Reference Author J.S.ALBERT,D.AHARONY,D.ANDISIK,H.BARTHLOW,P.R.BERNSTEIN,R.A. BIALECKI,R.DEDINAS,B
Literature Reference Citation J.MED.CHEM.,45,3972(2002)
Literature Reference DOI 10.1021/jm020094i
Solvent CDCl3
Source File Reference UWLU64463