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2,7-Ethanonaphth[2,3-b]oxirene-4,4,5,5-tetracarbonitrile, 1a,2,3,6,7,7a-hexahydro-, (1a.alpha.,2.beta.,7.beta.,7a.alpha.)-

View entire compound with spectra: 1 MS (GC)

2,7-Ethanonaphth[2,3-b]oxirene-4,4,5,5-tetracarbonitrile, 1a,2,3,6,7,7a-hexahydro-, (1a.alpha.,2.beta.,7.beta.,7a.alpha.)-
SpectraBase Compound ID 3SbsFJewOHh
InChI InChI=1S/C16H12N4O/c17-5-15(6-18)3-11-9-1-2-10(14-13(9)21-14)12(11)4-16(15,7-19)8-20/h9-10,13-14H,1-4H2/t9-,10+,13-,14+
InChIKey MGYIIOLNNOTQEN-IOQCUFBNSA-N
Mol Weight 276.3 g/mol
Molecular Formula C16H12N4O
Exact Mass 276.101111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6AX4EfCQeO3
Name 2,7-Ethanonaphth[2,3-b]oxirene-4,4,5,5-tetracarbonitrile, 1a,2,3,6,7,7a-hexahydro-, (1a.alpha.,2.beta.,7.beta.,7a.alpha.)-
Alternate Name(s) (1R,8S,9S,11R)-10-oxatetracyclo[6.3.2.0(2,7).0(9,11)]tridec-2(7)-ene-4,4,5,5-tetracarbonitrile 9exo,10exo-epoxytricyclo[6.2.2.0(2,7)]dodec-2(7)-ene-4,4,5,5-tetracarbonitrile
CAS Registry Number 81825-54-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N4O
InChI InChI=1S/C16H12N4O/c17-5-15(6-18)3-11-9-1-2-10(14-13(9)21-14)12(11)4-16(15,7-19)8-20/h9-10,13-14H,1-4H2/t9-,10+,13-,14+
InChIKey MGYIIOLNNOTQEN-IOQCUFBNSA-N
Molecular Weight 276.299 g/mol
SMILES [C@]12([C@@]([C@]3([H])C4=C([C@]2(CC3)[H])CC(C(C#N)(C#N)C4)(C#N)C#N)([H])O1)[H]
SPLASH splash10-0036-1900000000-b9c9c30ffdd5af9566ad
Source of Spectrum H-65-186-0
Wiley ID 1280070