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1,4-Ethanonaphthalene-6,6,7,7-tetracarbonitrile, 5,8-dichloro-1,2,3,4,5,8-hexahydro-2-oxo-, (1.alpha.,4.alpha.,5.alpha.,8.alpha.)-
SpectraBase Compound ID 21B1SePoRD2
InChI InChI=1S/C16H10Cl2N4O/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/h8-9,13-14H,1-3H2/t8-,9+,13-,14+/m0/s1
InChIKey AZJLECQPMDABNY-KNUWBNEDSA-N
Mol Weight 345.19 g/mol
Molecular Formula C16H10Cl2N4O
Exact Mass 344.023166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Zx1VUWUjiw
Name 1,4-Ethanonaphthalene-6,6,7,7-tetracarbonitrile, 5,8-dichloro-1,2,3,4,5,8-hexahydro-2-oxo-, (1.alpha.,4.alpha.,5.alpha.,8.alpha.)-
CAS Registry Number 81825-60-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10Cl2N4O
InChI InChI=1S/C16H10Cl2N4O/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/h8-9,13-14H,1-3H2/t8-,9+,13-,14+/m0/s1
InChIKey AZJLECQPMDABNY-KNUWBNEDSA-N
Molecular Weight 345.189 g/mol
SMILES C1(C([C@](Cl)(C2=C([C@@]1(Cl)[H])[C@@]1(CC(=O)[C@@]2([H])CC1)[H])[H])(C#N)C#N)(C#N)C#N
SPLASH splash10-0096-0910000000-32395c0eb2ee8c3b9ea0
Source of Spectrum H-65-215-0
Synonyms (1S,3S,6R,8S)-3,6-dichloro-9-oxotricyclo[6.2.2.0(2,7)]dodec-2(7)-ene-4,4,5,5-tetracarbonitrile 3exo,6exo-dichloro-9-oxotricyclo[6.2.2.0(2,7)]dodec-2(7)-ene-4,4,5,5-tetracarbonitrile
Wiley ID 1337645