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

*Links on SpectraBase are not permalinks.
3-CYANO-4-TRIFLUOROMETHYL-2,6-BIS-[3'-(N-TOLUENESULFONYL-5'-METHOXYINDOLYL)]-PYRIDINE
SpectraBase Compound ID HLRmKBb0Red
InChI InChI=1S/C39H29F3N4O6S2/c1-23-5-11-27(12-6-23)53(47,48)45-21-32(29-17-25(51-3)9-15-36(29)45)35-19-34(39(40,41)42)31(20-43)38(44-35)33-22-46(37-16-10-26(52-4)18-30(33)37)54(49,50)28-13-7-24(2)8-14-28/h5-19,21-22H,1-4H3
InChIKey JGQVTPMLGBYPBX-UHFFFAOYSA-N
Mol Weight 770.8 g/mol
Molecular Formula C39H29F3N4O6S2
Exact Mass 770.148062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C 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 2evQx1SaOUq
Name 3-CYANO-4-TRIFLUOROMETHYL-2,6-BIS-[3'-(N-TOLUENESULFONYL-5'-METHOXYINDOLYL)]-PYRIDINE
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H29F3N4O6S2
InChI InChI=1S/C39H29F3N4O6S2/c1-23-5-11-27(12-6-23)53(47,48)45-21-32(29-17-25(51-3)9-15-36(29)45)35-19-34(39(40,41)42)31(20-43)38(44-35)33-22-46(37-16-10-26(52-4)18-30(33)37)54(49,50)28-13-7-24(2)8-14-28/h5-19,21-22H,1-4H3
InChIKey JGQVTPMLGBYPBX-UHFFFAOYSA-N
Literature Reference Author W.N.XIONG,C.G.YANG,B.JIANG
Literature Reference Citation BIOORG.MED.CHEM.,9,1773(2001)
Literature Reference DOI 10.1016/S0968-0896(01)00070-0
Molecular Weight 770.798 g/mol
Solvent CDCl3
Source File Reference UWMS21972