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3,7-di-Tert-butyl-1,5-diphenyl-3,7-diazabicyclo[3,3,1]nonan-9-ol

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3,7-di-Tert-butyl-1,5-diphenyl-3,7-diazabicyclo[3,3,1]nonan-9-ol
SpectraBase Compound ID 7NKmyB4dJPM
InChI InChI=1S/C27H38N2O/c1-24(2,3)28-17-26(21-13-9-7-10-14-21)19-29(25(4,5)6)20-27(18-28,23(26)30)22-15-11-8-12-16-22/h7-16,23,30H,17-20H2,1-6H3/t23?,26-,27+
InChIKey DRMMDDIKOPEIKF-NVCFSDIOSA-N
Mol Weight 406.6 g/mol
Molecular Formula C27H38N2O
Exact Mass 406.298414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4RlvjEtwfuE
Name 3,7-di-Tert-butyl-1,5-diphenyl-3,7-diazabicyclo[3,3,1]nonan-9-ol
Comments Computed using HOSE algorithm
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Exact Mass 406.298413851 u
Formula C27H38N2O
InChI InChI=1S/C27H38N2O/c1-24(2,3)28-17-26(21-13-9-7-10-14-21)19-29(25(4,5)6)20-27(18-28,23(26)30)22-15-11-8-12-16-22/h7-16,23,30H,17-20H2,1-6H3/t23?,26-,27+
InChIKey DRMMDDIKOPEIKF-NVCFSDIOSA-N
Molecular Weight 406.614 g/mol
SMILES C1[C@]2(CN(C[C@](C2O)(CN1C(C)(C)C)C1=CC=CC=C1)C(C)(C)C)C1=CC=CC=C1