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TRIS-[(4S,7R)-7,8,8-TRIMETHYL-4,5,6,7-TETRAHYDRO-4,7-METHANO-2-H-INDAZOL-2-YL-METHYL]-AMINE
SpectraBase Compound ID BA0064HVwB5
InChI InChI=1S/C36H51N7/c1-31(2)26-10-13-34(31,7)28-23(26)17-41(38-28)19-40(20-42-18-24-27-11-14-35(8,29(24)39-42)32(27,3)4)21-43-30-22(16-37-43)25-12-15-36(30,9)33(25,5)6/h16-18,25-27H,10-15,19-21H2,1-9H3/t25-,26-,27-,34+,35+,36+/m0/s1
InChIKey QKRMIBFKDUESBR-QGSAFHPGSA-N
Mol Weight 581.9 g/mol
Molecular Formula C36H51N7
Exact Mass 581.420595 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3A0oyOqPxTK
Name TRIS-[(4S,7R)-7,8,8-TRIMETHYL-4,5,6,7-TETRAHYDRO-4,7-METHANO-2-H-INDAZOL-2-YL-METHYL]-AMINE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H51N7
InChI InChI=1S/C36H51N7/c1-31(2)26-10-13-34(31,7)28-23(26)17-41(38-28)19-40(20-42-18-24-27-11-14-35(8,29(24)39-42)32(27,3)4)21-43-30-22(16-37-43)25-12-15-36(30,9)33(25,5)6/h16-18,25-27H,10-15,19-21H2,1-9H3/t25-,26-,27-,34+,35+,36+/m0/s1
InChIKey QKRMIBFKDUESBR-QGSAFHPGSA-N
Literature Reference Author A.A.WATSON,D.A.HOUSE,P.J.STEEL
Literature Reference Citation AUSTR.J.CHEM.,48,1549(1995)
Literature Reference DOI 10.1071/CH9951549
Molecular Weight 581.848 g/mol
Solvent CDCl3
Source File Reference UWMZ443