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

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1,3-BIS-[4-(1,3-DIPHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-YL)-PHENOXY]-PROPANE
SpectraBase Compound ID 7H898LzpYCw
InChI InChI=1S/C45H40N4O2/c1-5-14-34(15-6-1)42-32-44(48(46-42)38-18-9-3-10-19-38)36-22-26-40(27-23-36)50-30-13-31-51-41-28-24-37(25-29-41)45-33-43(35-16-7-2-8-17-35)47-49(45)39-20-11-4-12-21-39/h1-12,14-29,44-45H,13,30-33H2/t44-,45+
InChIKey QZUKEGZMKPORML-XSSLUZHASA-N
Mol Weight 668.8 g/mol
Molecular Formula C45H40N4O2
Exact Mass 668.315127 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQEAzgY6hpd
Name 1,3-BIS-[4-(1,3-DIPHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-YL)-PHENOXY]-PROPANE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H40N4O2
InChI InChI=1S/C45H40N4O2/c1-5-14-34(15-6-1)42-32-44(48(46-42)38-18-9-3-10-19-38)36-22-26-40(27-23-36)50-30-13-31-51-41-28-24-37(25-29-41)45-33-43(35-16-7-2-8-17-35)47-49(45)39-20-11-4-12-21-39/h1-12,14-29,44-45H,13,30-33H2/t44-,45+
InChIKey QZUKEGZMKPORML-XSSLUZHASA-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 668.838 g/mol
Solvent CDCl3
Source File Reference UWBT11316