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

View entire compound with spectra: 1 NMR

1,4-BIS-[4-(1,3-DIPHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-YL)-PHENOXY]-BUTANE
SpectraBase Compound ID 2IbPjoXNVa1
InChI InChI=1S/C46H42N4O2/c1-5-15-35(16-6-1)43-33-45(49(47-43)39-19-9-3-10-20-39)37-23-27-41(28-24-37)51-31-13-14-32-52-42-29-25-38(26-30-42)46-34-44(36-17-7-2-8-18-36)48-50(46)40-21-11-4-12-22-40/h1-12,15-30,45-46H,13-14,31-34H2/t45-,46+
InChIKey LXAIJTPAYDKNJH-QWKHHPMFSA-N
Mol Weight 682.9 g/mol
Molecular Formula C46H42N4O2
Exact Mass 682.330777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 94T5ryFBPDr
Name 1,4-BIS-[4-(1,3-DIPHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-YL)-PHENOXY]-BUTANE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H42N4O2
InChI InChI=1S/C46H42N4O2/c1-5-15-35(16-6-1)43-33-45(49(47-43)39-19-9-3-10-20-39)37-23-27-41(28-24-37)51-31-13-14-32-52-42-29-25-38(26-30-42)46-34-44(36-17-7-2-8-18-36)48-50(46)40-21-11-4-12-22-40/h1-12,15-30,45-46H,13-14,31-34H2/t45-,46+
InChIKey LXAIJTPAYDKNJH-QWKHHPMFSA-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 682.865 g/mol
Solvent CDCl3
Source File Reference UWBT11317