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5-BROMO-10-OXO-3,9-DIAZAPENTACYCLO-[12.3.1.1(12,16).0(2,11).0(3,8)]-NONADECA-2(11),4,6,8-TETRAENE
SpectraBase Compound ID I3j75SrtAkP
InChI InChI=1S/C17H17BrN2O/c18-13-1-2-14-19-17(21)15-11-4-9-3-10(5-11)7-12(6-9)16(15)20(14)8-13/h1-2,8-12H,3-7H2/t9-,10+,11-,12+
InChIKey BWSSEJXCGGMCFC-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 DITVC8UumqX
Name 10-Oxo-5-bromo-3,9-diazapentacyclo[12.3.1.1.(12,16).0(2,11).0(3,8)]nonadeca-2(11),4,6,8-tetraene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17BrN2O
InChI InChI=1S/C17H17BrN2O/c18-13-1-2-14-19-17(21)15-11-4-9-3-10(5-11)7-12(6-9)16(15)20(14)8-13/h1-2,8-12H,3-7H2/t9-,10+,11-,12+
InChIKey BWSSEJXCGGMCFC-BKUVIOGVSA-N
Molecular Weight 345.240 g/mol
SMILES C1=2N3C(=NC(C2[C@]2(C[C@]4(C[C@@]1(C[C@@](C2)(C4)[H])[H])[H])[H])=O)C=CC(=C3)Br
SPLASH splash10-0007-1029000000-861cbc01dcc717061a6b
Source of Spectrum AJ-41-198-6
Synonyms 10-Oxo-5-bromo-3,9-diazapentacyclo[12.3.1.1.(12,16).0(2,11).0(3,8)]nonadeca-2(11),3,5,7-tetraene 5-Bromo-3,9-diazapentacyclo[12.3.1.1(12,16).0(2,11).0(3,8)]nonadeca-2(11),4,6,8-tetraen-10-one
Wiley ID 1567389