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1,3-DI-(3'-(2-PYRIDIN-2-YL-METHYLAMINO)-5'-METHYL-1'-PYRAZOLYL)-PROPANE
SpectraBase Compound ID ITmFQZntq2Q
InChI InChI=1S/C27H36N8/c1-22-18-26(20-28-14-10-24-8-3-5-12-30-24)32-34(22)16-7-17-35-23(2)19-27(33-35)21-29-15-11-25-9-4-6-13-31-25/h3-6,8-9,12-13,18-19,28-29H,7,10-11,14-17,20-21H2,1-2H3
InChIKey QNQSEZNDZMJAIE-UHFFFAOYSA-N
Mol Weight 472.6 g/mol
Molecular Formula C27H36N8
Exact Mass 472.306293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6w8kqWidVIX
Name 1,3-DI-(3'-(2-PYRIDIN-2-YL-METHYLAMINO)-5'-METHYL-1'-PYRAZOLYL)-PROPANE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H36N8
InChI InChI=1S/C27H36N8/c1-22-18-26(20-28-14-10-24-8-3-5-12-30-24)32-34(22)16-7-17-35-23(2)19-27(33-35)21-29-15-11-25-9-4-6-13-31-25/h3-6,8-9,12-13,18-19,28-29H,7,10-11,14-17,20-21H2,1-2H3
InChIKey QNQSEZNDZMJAIE-UHFFFAOYSA-N
Literature Reference Author J.E.BOL,B.MAASE,G.GONESH,W.L.DRIESSEN,K.GOUBITZ,J.REEDIJK
Literature Reference Citation HETEROCYCLES,45,1477(1997)
Literature Reference DOI 10.3987/COM-97-7772
Molecular Weight 472.636 g/mol
Solvent CDCl3
Source File Reference UWCP5050