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(4-Bromophenyl)(3,7-diacetyl-1,3,7-triazabicyclo[3.3.1]non-5-yl)methanone
SpectraBase Compound ID 5tzGsnGnZRG
InChI InChI=1S/C17H20BrN3O3/c1-12(22)20-8-17(16(24)14-3-5-15(18)6-4-14)7-19(10-20)11-21(9-17)13(2)23/h3-6H,7-11H2,1-2H3
InChIKey CIIPOUCLSKMZSL-UHFFFAOYSA-N
Mol Weight 394.27 g/mol
Molecular Formula C17H20BrN3O3
Exact Mass 393.068805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HwqFqNrKwfn
Name (4-Bromophenyl)(3,7-diacetyl-1,3,7-triazabicyclo[3.3.1]non-5-yl)methanone
CAS Registry Number 331465-22-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20BrN3O3
InChI InChI=1S/C17H20BrN3O3/c1-12(22)20-8-17(16(24)14-3-5-15(18)6-4-14)7-19(10-20)11-21(9-17)13(2)23/h3-6H,7-11H2,1-2H3
InChIKey CIIPOUCLSKMZSL-UHFFFAOYSA-N
Molecular Weight 394.269 g/mol
SMILES c1(ccc(C(=O)C23CN(CN(C3)C(C)=O)CN(C2)C(C)=O)cc1)Br
SPLASH splash10-0006-9410000000-0d18bdc75e2099315dbc
Source of Spectrum AD-0-2532-0
Synonyms 1-[3-acetyl-5-(4-bromobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone 1-[3-acetyl-5-[(4-bromophenyl)-oxomethyl]-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone 1-[5-(4-bromophenyl)carbonyl-3-ethanoyl-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone 1-[7-Acetyl-5-(4-bromo-benzoyl)-1,3,7-triaza-bicyclo[3.3.1]non-3-yl]-ethanone
Wiley ID 1432733