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1,4-Ethanonaphthalene-6,6,7,7-tetracarbonitrile, 1,2,3,4,5,8-hexahydro-9-hydroxy-2,3-bis(methylene)-, (1.alpha.,4.alpha.,9R*)-(.+-.)-
SpectraBase Compound ID 3sYvBFGbbAl
InChI InChI=1S/C18H14N4O/c1-10-11(2)16-14-5-18(8-21,9-22)17(6-19,7-20)4-13(14)12(10)3-15(16)23/h12,15-16,23H,1-5H2/t12-,15+,16+/m0/s1
InChIKey HABLFACINMWXCH-XHAYOOOLSA-N
Mol Weight 302.34 g/mol
Molecular Formula C18H14N4O
Exact Mass 302.116761 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WU5vPHh305
Name 1,4-Ethanonaphthalene-6,6,7,7-tetracarbonitrile, 1,2,3,4,5,8-hexahydro-9-hydroxy-2,3-bis(methylene)-, (1.alpha.,4.alpha.,9R*)-(.+-.)-
CAS Registry Number 87514-95-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14N4O
InChI InChI=1S/C18H14N4O/c1-10-11(2)16-14-5-18(8-21,9-22)17(6-19,7-20)4-13(14)12(10)3-15(16)23/h12,15-16,23H,1-5H2/t12-,15+,16+/m0/s1
InChIKey HABLFACINMWXCH-XHAYOOOLSA-N
Molecular Weight 302.337 g/mol
SMILES O[C@@]1(C[C@@]2(C3=C([C@@]1([H])C(C2=C)=C)CC(C(C3)(C#N)C#N)(C#N)C#N)[H])[H]
SPLASH splash10-0a59-0960000000-ebe18e015209afd16394
Source of Spectrum H-66-1144-0
Synonyms (1R*,11R*)-11-hydroxy-9,10-dimethylidenetricyclo[6.2.2.0(2,7)]dodec-2(7)-ene-4,4,5,5-tetracarbonitrile (1R,11R)-11-hydroxy-9,10-dimethylenetricyclo[6.2.2.0(2,7)]dodec-2(7)-ene-4,4,5,5-tetracarbonitrile
Wiley ID 1304759