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1,3-Diazatricyclo[3.3.1.1(3,7)]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro-
SpectraBase Compound ID 4ZU5RFgqM3c
InChI InChI=1S/C16H19BrN4O4/c1-14(2)15(20(22)23)7-18-9-16(14,21(24)25)10-19(8-15)13(18)11-4-3-5-12(17)6-11/h3-6,13H,7-10H2,1-2H3/t13-,15-,16+
InChIKey RUFKIHWOTUJKGW-MKZZRHPPSA-N
Mol Weight 411.26 g/mol
Molecular Formula C16H19BrN4O4
Exact Mass 410.058968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EoQ3SkYGTcD
Name 1,3-Diazatricyclo[3.3.1.1(3,7)]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro-
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Formula C16H19BrN4O4
InChI InChI=1S/C16H19BrN4O4/c1-14(2)15(20(22)23)7-18-9-16(14,21(24)25)10-19(8-15)13(18)11-4-3-5-12(17)6-11/h3-6,13H,7-10H2,1-2H3/t13-,15-,16+
InChIKey RUFKIHWOTUJKGW-MKZZRHPPSA-N
Molecular Weight 411.256 g/mol
SMILES CC1([C@]2(CN3C[C@@]1(CN(C2)C3c1cc(ccc1)Br)N(=O)=O)N(=O)=O)C
SPLASH splash10-03xu-5966300000-c30a99cdb63795915c10
Source of Spectrum AD-0-2532-0
Wiley ID 1430659