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3,7-bis(2-chlorobenzoyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one

View entire compound with spectra: 1 MS (GC)

3,7-bis(2-chlorobenzoyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
SpectraBase Compound ID qziRZW05CA
InChI InChI=1S/C23H22Cl2N2O3/c1-22-11-26(19(28)15-7-3-5-9-17(15)24)13-23(2,21(22)30)14-27(12-22)20(29)16-8-4-6-10-18(16)25/h3-10H,11-14H2,1-2H3/t22-,23+
InChIKey RFUDSRZHOKVSJR-ZRZAMGCNSA-N
Mol Weight 445.35 g/mol
Molecular Formula C23H22Cl2N2O3
Exact Mass 444.100748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4i9jD2A6GLt
Name 3,7-bis(2-chlorobenzoyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22Cl2N2O3
InChI InChI=1S/C23H22Cl2N2O3/c1-22-11-26(19(28)15-7-3-5-9-17(15)24)13-23(2,21(22)30)14-27(12-22)20(29)16-8-4-6-10-18(16)25/h3-10H,11-14H2,1-2H3/t22-,23+
InChIKey RFUDSRZHOKVSJR-ZRZAMGCNSA-N
Molecular Weight 445.346 g/mol
SMILES [C@]12(C([C@](C)(CN(C2)C(c2c(Cl)cccc2)=O)CN(C1)C(c1c(Cl)cccc1)=O)=O)C
SPLASH splash10-01p9-2920000000-6d3a01a5aab507cce470
Synonyms 3,7-bis[(2-chlorophenyl)-oxomethyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one 3,7-bis[(2-chlorophenyl)carbonyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Wiley ID 1444280