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1,4-Ethanonaphthalene-6,6,7,7-tetracarbonitrile, 5,8-dichloro-1,2,3,4,5,8-hexahydro-2-hydroxy-, (1.alpha.,2.beta.,4.alpha.,5.alpha.,8.alpha.)-
SpectraBase Compound ID FVkcYIyv72L
InChI InChI=1S/C16H12Cl2N4O/c17-13-11-8-1-2-9(10(23)3-8)12(11)14(18)16(6-21,7-22)15(13,4-19)5-20/h8-10,13-14,23H,1-3H2/t8-,9+,10+,13-,14+/m0/s1
InChIKey NZKACZKAZAADBN-KOJFIEQPSA-N
Mol Weight 347.21 g/mol
Molecular Formula C16H12Cl2N4O
Exact Mass 346.038816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1A5zRQzPVMj
Name 1,4-Ethanonaphthalene-6,6,7,7-tetracarbonitrile, 5,8-dichloro-1,2,3,4,5,8-hexahydro-2-hydroxy-, (1.alpha.,2.beta.,4.alpha.,5.alpha.,8.alpha.)-
CAS Registry Number 81872-58-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12Cl2N4O
InChI InChI=1S/C16H12Cl2N4O/c17-13-11-8-1-2-9(10(23)3-8)12(11)14(18)16(6-21,7-22)15(13,4-19)5-20/h8-10,13-14,23H,1-3H2/t8-,9+,10+,13-,14+/m0/s1
InChIKey NZKACZKAZAADBN-KOJFIEQPSA-N
Molecular Weight 347.205 g/mol
SMILES O[C@@]1(C[C@]2(C=3[C@@](C(C([C@](Cl)(C3[C@]1([H])CC2)[H])(C#N)C#N)(C#N)C#N)(Cl)[H])[H])[H]
SPLASH splash10-00ba-2910000000-53ec1fefb53be9dc1056
Source of Spectrum H-65-214-0
Synonyms (1S,3S,6R,8S,9R)-3,6-dichloro-9-hydroxytricyclo[6.2.2.0(2,7)]dodec-2(7)-ene-4,4,5,5-tetracarbonitrile 3exo,6exo-dichloro-9endo-hydroxytricyclo[6.2.2.0(2,7)]dodec-2(7)-ene-4,4,5,5-tetracarbonitrile
Wiley ID 1338988