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1,12-BIS-[4-(1,3-DIPHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-YL)-PHENOXY]-DODECANE

View entire compound with spectra: 1 NMR

1,12-BIS-[4-(1,3-DIPHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-YL)-PHENOXY]-DODECANE
SpectraBase Compound ID 2HbxJqnCMa3
InChI InChI=1S/C54H58N4O2/c1(3-5-7-21-39-59-49-35-31-45(32-36-49)53-41-51(43-23-13-9-14-24-43)55-57(53)47-27-17-11-18-28-47)2-4-6-8-22-40-60-50-37-33-46(34-38-50)54-42-52(44-25-15-10-16-26-44)56-58(54)48-29-19-12-20-30-48/h9-20,23-38,53-54H,1-8,21-22,39-42H2/t53-,54+
InChIKey BGBXPCPJNXASEX-BCCSUNCUSA-N
Mol Weight 795.1 g/mol
Molecular Formula C54H58N4O2
Exact Mass 794.455977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Bzf4LAa3WK
Name 1,12-BIS-[4-(1,3-DIPHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-YL)-PHENOXY]-DODECANE
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H58N4O2
InChI InChI=1S/C54H58N4O2/c1(3-5-7-21-39-59-49-35-31-45(32-36-49)53-41-51(43-23-13-9-14-24-43)55-57(53)47-27-17-11-18-28-47)2-4-6-8-22-40-60-50-37-33-46(34-38-50)54-42-52(44-25-15-10-16-26-44)56-58(54)48-29-19-12-20-30-48/h9-20,23-38,53-54H,1-8,21-22,39-42H2/t53-,54+
InChIKey BGBXPCPJNXASEX-BCCSUNCUSA-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 795.080 g/mol
Solvent CDCl3
Source File Reference UWBT11322