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1,4-Methanonaphthalene-6,6,7,7-tetracarbonitrile, 5-bromo-1,2,3,4,5,8-hexahydro-, (1.alpha.,4.alpha.,5.alpha.)-
SpectraBase Compound ID 6Z5oEE44yuT
InChI InChI=1S/C15H11BrN4/c16-13-12-10-2-1-9(3-10)11(12)4-14(5-17,6-18)15(13,7-19)8-20/h9-10,13H,1-4H2/t9-,10+,13-/m0/s1
InChIKey KGVPYDMJHSWUEB-CWSCBRNRSA-N
Mol Weight 327.19 g/mol
Molecular Formula C15H11BrN4
Exact Mass 326.016709 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EvoFcPG4lkv
Name 1,4-Methanonaphthalene-6,6,7,7-tetracarbonitrile, 5-bromo-1,2,3,4,5,8-hexahydro-, (1.alpha.,4.alpha.,5.alpha.)-
Alternate Name(s) (1R,3S,8S)-3-bromotricyclo[6.2.1.0(2,7)]undec-2(7)-ene-4,4,5,5-tetracarbonitrile 3-exo-bromotricyclo[6.2.1.0(2,7)]undec-2(7)-ene-4,4,5,5-tetracarbonitrile
CAS Registry Number 103834-45-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11BrN4
InChI InChI=1S/C15H11BrN4/c16-13-12-10-2-1-9(3-10)11(12)4-14(5-17,6-18)15(13,7-19)8-20/h9-10,13H,1-4H2/t9-,10+,13-/m0/s1
InChIKey KGVPYDMJHSWUEB-CWSCBRNRSA-N
Molecular Weight 327.185 g/mol
SMILES C1(C(CC2=C([C@@]1(Br)[H])[C@]1(C[C@]2([H])CC1)[H])(C#N)C#N)(C#N)C#N
SPLASH splash10-00di-0191000000-db9fd01f43d56905d38d
Source of Spectrum H-68-2192-23
Wiley ID 1324478