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

View entire compound with spectra: 1 MS (GC)

3,7-bis(2-bromobenzoyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
SpectraBase Compound ID DBSmtrGcw6L
InChI InChI=1S/C23H22Br2N2O3/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 HXQGJIWQHSTIHG-ZRZAMGCNSA-N
Mol Weight 534.25 g/mol
Molecular Formula C23H22Br2N2O3
Exact Mass 531.999719 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66V2LogebP1
Name 3,7-bis(2-bromobenzoyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Alternate Name(s) 3,7-bis[(2-bromophenyl)-oxomethyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one 3,7-bis[(2-bromophenyl)carbonyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22Br2N2O3
InChI InChI=1S/C23H22Br2N2O3/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 HXQGJIWQHSTIHG-ZRZAMGCNSA-N
Molecular Weight 534.248 g/mol
SMILES [C@]12(C([C@](C)(CN(C2)C(c2c(Br)cccc2)=O)CN(C1)C(c1c(Br)cccc1)=O)=O)C
SPLASH splash10-0a5i-3902000000-2383b3269bb89d35f829
Wiley ID 1445532