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2,5-BIS-[((4S,7R)-7,8,8-TRIMETHYL-4,5,6,7-TETRAHYDRO-4,7-METHANO-2-H-INDAZOL-2-YL)-METHYL]-FURAN
SpectraBase Compound ID K3j2JF3SPPr
InChI InChI=1S/C28H36N4O/c1-25(2)21-9-11-27(25,5)23-19(21)15-31(29-23)13-17-7-8-18(33-17)14-32-16-20-22-10-12-28(6,24(20)30-32)26(22,3)4/h7-8,15-16,21-22H,9-14H2,1-6H3/t21-,22-,27+,28+/m1/s1
InChIKey DMGUQXUBTRSLSY-BIQRORRISA-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 FYCBzypoxU8
Name 2,5-BIS-[((4S,7R)-7,8,8-TRIMETHYL-4,5,6,7-TETRAHYDRO-4,7-METHANO-2-H-INDAZOL-2-YL)-METHYL]-FURAN
Compound Number 37
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)21-9-11-27(25,5)23-19(21)15-31(29-23)13-17-7-8-18(33-17)14-32-16-20-22-10-12-28(6,24(20)30-32)26(22,3)4/h7-8,15-16,21-22H,9-14H2,1-6H3/t21-,22-,27+,28+/m1/s1
InChIKey DMGUQXUBTRSLSY-BIQRORRISA-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 UWMZ453