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4,8-Dibenzoyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decane
SpectraBase Compound ID Hk4tLb3pXcO
InChI InChI=1S/C21H22N4O4/c26-19(17-7-3-1-4-8-17)23-12-11-22-13-21(14-23,25(28)29)15-24(16-22)20(27)18-9-5-2-6-10-18/h1-10H,11-16H2/t21-/m0/s1
InChIKey UNCUUZRTRBZZLH-NRFANRHFSA-N
Mol Weight 394.43 g/mol
Molecular Formula C21H22N4O4
Exact Mass 394.164105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VYfHWR6kyW
Name 4,8-Dibenzoyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decane
Alternate Name(s) (8-benzoyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decan-4-yl)-phenyl-methanone 3,8-Dibenzoyl-1-nitro-3,6,8-triazabicyclo[4.3.1]decane [6-nitro-8-(phenylcarbonyl)-1,4,8-triazabicyclo[4.3.1]decan-4-yl]-phenyl-methanone
CAS Registry Number 162710-50-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N4O4
InChI InChI=1S/C21H22N4O4/c26-19(17-7-3-1-4-8-17)23-12-11-22-13-21(14-23,25(28)29)15-24(16-22)20(27)18-9-5-2-6-10-18/h1-10H,11-16H2/t21-/m0/s1
InChIKey UNCUUZRTRBZZLH-NRFANRHFSA-N
Molecular Weight 394.431 g/mol
SMILES [C@@]12(N(=O)=O)CN(C(=O)c3ccccc3)CN(C1)CCN(C2)C(=O)c1ccccc1
SPLASH splash10-0a6r-9400000000-e7200cb9e93a4a78f11c
Wiley ID 1438098