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

*Links on SpectraBase are not permalinks.
1,8-BIS-[4-(1,3-DIPHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-YL)-PHENOXY]-OCTANE
SpectraBase Compound ID Y4cDgjWBCg
InChI InChI=1S/C50H50N4O2/c1(3-17-35-55-45-31-27-41(28-32-45)49-37-47(39-19-9-5-10-20-39)51-53(49)43-23-13-7-14-24-43)2-4-18-36-56-46-33-29-42(30-34-46)50-38-48(40-21-11-6-12-22-40)52-54(50)44-25-15-8-16-26-44/h5-16,19-34,49-50H,1-4,17-18,35-38H2/t49-,50+
InChIKey IWLLHXSILBMBOB-DKSDCYBHSA-N
Mol Weight 739.0 g/mol
Molecular Formula C50H50N4O2
Exact Mass 738.393377 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 DbJwASYhuMO
Name 1,8-BIS-[4-(1,3-DIPHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-YL)-PHENOXY]-OCTANE
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H50N4O2
InChI InChI=1S/C50H50N4O2/c1(3-17-35-55-45-31-27-41(28-32-45)49-37-47(39-19-9-5-10-20-39)51-53(49)43-23-13-7-14-24-43)2-4-18-36-56-46-33-29-42(30-34-46)50-38-48(40-21-11-6-12-22-40)52-54(50)44-25-15-8-16-26-44/h5-16,19-34,49-50H,1-4,17-18,35-38H2/t49-,50+
InChIKey IWLLHXSILBMBOB-DKSDCYBHSA-N
Literature Reference Author M.YUSUF,P.JAIN
Literature Reference Citation J.CHEM.SCI.,125,117(2013)
Literature Reference DOI 10.1007/s12039-012-0355-9
Molecular Weight 738.973 g/mol
Solvent CDCl3
Source File Reference UWBT11320