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1,5-Diphenyl-3,7-di(2-pyridylmethyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
SpectraBase Compound ID 6B400QbUIch
InChI InChI=1S/C31H30N4O/c36-29-30(25-11-3-1-4-12-25)21-34(19-27-15-7-9-17-32-27)23-31(29,26-13-5-2-6-14-26)24-35(22-30)20-28-16-8-10-18-33-28/h1-18H,19-24H2/t30-,31+
InChIKey RDPDABBKCSCWAL-QRRGNZNSSA-N
Mol Weight 474.61 g/mol
Molecular Formula C31H30N4O
Exact Mass 474.241962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAs2LDAvFEa
Name 1,5-Diphenyl-3,7-di(2-pyridylmethyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H30N4O
InChI InChI=1S/C31H30N4O/c36-29-30(25-11-3-1-4-12-25)21-34(19-27-15-7-9-17-32-27)23-31(29,26-13-5-2-6-14-26)24-35(22-30)20-28-16-8-10-18-33-28/h1-18H,19-24H2/t30-,31+
InChIKey RDPDABBKCSCWAL-QRRGNZNSSA-N
Molecular Weight 474.608 g/mol
SMILES [C@]12(C([C@@](c3ccccc3)(CN(C1)Cc1ncccc1)CN(C2)Cc1ncccc1)=O)c1ccccc1
SPLASH splash10-000i-0900000000-e3be6b48fd5c6d6178e9
Source of Spectrum F-51-2071-22
Synonyms 1,5-diphenyl-3,7-bis(2-pyridinylmethyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
Wiley ID 791077