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2-[((4S,7R)-7,8,8-TRIMETHYL-4,5,6,7-TETRAHYDRO-4,7-METHANO-1-H-INDAZOL-1-YL)-METHYL]-5-[((4S,7R)-7,8,8-TRIMETHYL-4,5,6,7-TETRAHYDRO-4,7-METHANO-2-H-INDAZOL-2-Y

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2-[((4S,7R)-7,8,8-TRIMETHYL-4,5,6,7-TETRAHYDRO-4,7-METHANO-1-H-INDAZOL-1-YL)-METHYL]-5-[((4S,7R)-7,8,8-TRIMETHYL-4,5,6,7-TETRAHYDRO-4,7-METHANO-2-H-INDAZOL-2-Y
SpectraBase Compound ID 1hzUSx08KXJ
InChI InChI=1S/C28H36N4O/c1-25(2)22-9-11-27(25,5)23-20(22)16-31(30-23)14-17-7-8-18(33-17)15-32-24-19(13-29-32)21-10-12-28(24,6)26(21,3)4/h7-8,13,16,21-22H,9-12,14-15H2,1-6H3/t21-,22+,27-,28+/m0/s1
InChIKey QPRAJMNUZHGPSF-ICLSSZMYSA-N
Mol Weight 444.6 g/mol
Molecular Formula C28H36N4O
Exact Mass 444.288912 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HivSbn8op9E
Name 2-[((4S,7R)-7,8,8-TRIMETHYL-4,5,6,7-TETRAHYDRO-4,7-METHANO-1-H-INDAZOL-1-YL)-METHYL]-5-[((4S,7R)-7,8,8-TRIMETHYL-4,5,6,7-TETRAHYDRO-4,7-METHANO-2-H-INDAZOL-2-Y
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H36N4O
InChI InChI=1S/C28H36N4O/c1-25(2)22-9-11-27(25,5)23-20(22)16-31(30-23)14-17-7-8-18(33-17)15-32-24-19(13-29-32)21-10-12-28(24,6)26(21,3)4/h7-8,13,16,21-22H,9-12,14-15H2,1-6H3/t21-,22+,27-,28+/m0/s1
InChIKey QPRAJMNUZHGPSF-ICLSSZMYSA-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 444.620 g/mol
Solvent CDCl3
Source File Reference UWMZ454