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1,2-BIS-[4-(1,3-DIPHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-YL)-PHENOXY]-ETHANE

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1,2-BIS-[4-(1,3-DIPHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-YL)-PHENOXY]-ETHANE
SpectraBase Compound ID HkL4DHuYNDq
InChI InChI=1S/C44H38N4O2/c1-5-13-33(14-6-1)41-31-43(47(45-41)37-17-9-3-10-18-37)35-21-25-39(26-22-35)49-29-30-50-40-27-23-36(24-28-40)44-32-42(34-15-7-2-8-16-34)46-48(44)38-19-11-4-12-20-38/h1-28,43-44H,29-32H2/t43-,44+
InChIKey NZQHDNJCIQBOHF-PIYFIQLCSA-N
Mol Weight 654.8 g/mol
Molecular Formula C44H38N4O2
Exact Mass 654.299476 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2hnK3OE80ZR
Name 1,2-BIS-[4-(1,3-DIPHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-YL)-PHENOXY]-ETHANE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H38N4O2
InChI InChI=1S/C44H38N4O2/c1-5-13-33(14-6-1)41-31-43(47(45-41)37-17-9-3-10-18-37)35-21-25-39(26-22-35)49-29-30-50-40-27-23-36(24-28-40)44-32-42(34-15-7-2-8-16-34)46-48(44)38-19-11-4-12-20-38/h1-28,43-44H,29-32H2/t43-,44+
InChIKey NZQHDNJCIQBOHF-PIYFIQLCSA-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 654.811 g/mol
Solvent CDCl3
Source File Reference UWBT11315