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1,6-BIS-[4-(1,3-DIPHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-YL)-PHENOXY]-HEXANE
SpectraBase Compound ID Bh62OJS5FTl
InChI InChI=1S/C48H46N4O2/c1(15-33-53-43-29-25-39(26-30-43)47-35-45(37-17-7-3-8-18-37)49-51(47)41-21-11-5-12-22-41)2-16-34-54-44-31-27-40(28-32-44)48-36-46(38-19-9-4-10-20-38)50-52(48)42-23-13-6-14-24-42/h3-14,17-32,47-48H,1-2,15-16,33-36H2/t47-,48+
InChIKey NHCAZACIBQTSSC-WPVYDPPMSA-N
Mol Weight 710.9 g/mol
Molecular Formula C48H46N4O2
Exact Mass 710.362077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4k0Ojmwt8c5
Name 1,6-BIS-[4-(1,3-DIPHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-YL)-PHENOXY]-HEXANE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H46N4O2
InChI InChI=1S/C48H46N4O2/c1(15-33-53-43-29-25-39(26-30-43)47-35-45(37-17-7-3-8-18-37)49-51(47)41-21-11-5-12-22-41)2-16-34-54-44-31-27-40(28-32-44)48-36-46(38-19-9-4-10-20-38)50-52(48)42-23-13-6-14-24-42/h3-14,17-32,47-48H,1-2,15-16,33-36H2/t47-,48+
InChIKey NHCAZACIBQTSSC-WPVYDPPMSA-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 710.919 g/mol
Solvent CDCl3
Source File Reference UWBT11319