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

View entire compound with spectra: 1 NMR

1,5-BIS-[4-(1,3-DIPHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-YL)-PHENOXY]-PENTANE
SpectraBase Compound ID 9cpBBzOzP3A
InChI InChI=1S/C47H44N4O2/c1-6-16-36(17-7-1)44-34-46(50(48-44)40-20-10-3-11-21-40)38-24-28-42(29-25-38)52-32-14-5-15-33-53-43-30-26-39(27-31-43)47-35-45(37-18-8-2-9-19-37)49-51(47)41-22-12-4-13-23-41/h1-4,6-13,16-31,46-47H,5,14-15,32-35H2/t46-,47+
InChIKey KIOBCFIQDFAURJ-ZLFVLTGHSA-N
Mol Weight 696.9 g/mol
Molecular Formula C47H44N4O2
Exact Mass 696.346427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4oSVeYMUsd9
Name 1,5-BIS-[4-(1,3-DIPHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-YL)-PHENOXY]-PENTANE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H44N4O2
InChI InChI=1S/C47H44N4O2/c1-6-16-36(17-7-1)44-34-46(50(48-44)40-20-10-3-11-21-40)38-24-28-42(29-25-38)52-32-14-5-15-33-53-43-30-26-39(27-31-43)47-35-45(37-18-8-2-9-19-37)49-51(47)41-22-12-4-13-23-41/h1-4,6-13,16-31,46-47H,5,14-15,32-35H2/t46-,47+
InChIKey KIOBCFIQDFAURJ-ZLFVLTGHSA-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 696.892 g/mol
Solvent CDCl3
Source File Reference UWBT11318