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7-Bromo-10-oxo-3,9-diazapentacyclo[12.3.1.1.(12,16).0(2,11).0(4,9)]nonadeca-2(11),3,5,7-tetraene
SpectraBase Compound ID 5M4zxOX0v05
InChI InChI=1S/C17H17BrN2O/c18-13-1-2-14-19-16-12-6-9-3-10(7-12)5-11(4-9)15(16)17(21)20(14)8-13/h1-2,8-12H,3-7H2/t9-,10+,11-,12+
InChIKey FURALEUPOYCPOG-BKUVIOGVSA-N
Mol Weight 345.24 g/mol
Molecular Formula C17H17BrN2O
Exact Mass 344.052426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID W8ZgStxtw
Name 7-Bromo-10-oxo-3,9-diazapentacyclo[12.3.1.1.(12,16).0(2,11).0(4,9)]nonadeca-2(11),3,5,7-tetraene
Alternate Name(s) 7-Bromo-3,9-diazapentacyclo[12.3.1.1(12,16).0(2,11).0(4,9)]nonadeca-2(11),3,5,7-tetraen-10-one
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Formula C17H17BrN2O
InChI InChI=1S/C17H17BrN2O/c18-13-1-2-14-19-16-12-6-9-3-10(7-12)5-11(4-9)15(16)17(21)20(14)8-13/h1-2,8-12H,3-7H2/t9-,10+,11-,12+
InChIKey FURALEUPOYCPOG-BKUVIOGVSA-N
Molecular Weight 345.240 g/mol
SMILES C12=C(N=C3N(C2=O)C=C(C=C3)Br)[C@]2(C[C@@]3(C[C@@]1(C[C@@](C3)(C2)[H])[H])[H])[H]
SPLASH splash10-0005-0029000000-66d377b050e72b5bee98
Source of Spectrum AJ-41-192-4
Wiley ID 1567405