For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,4-Methanonaphthalene, benzonitrile deriv.
SpectraBase Compound ID CjXPRakRDR7
InChI InChI=1S/C18H13NO2/c19-9-10-1-3-11(4-2-10)14-8-15(20)16-12-5-6-13(7-12)17(16)18(14)21/h1-6,8,12-13,16-17H,7H2/t12-,13+,16+,17+/m0/s1
InChIKey CQXVFXLKZHWBFJ-NSNWQYSKSA-N
Mol Weight 275.31 g/mol
Molecular Formula C18H13NO2
Exact Mass 275.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7Fo3wEFNGeG
Name 1,4-Methanonaphthalene, benzonitrile deriv.
CAS Registry Number 118171-97-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13NO2
InChI InChI=1S/C18H13NO2/c19-9-10-1-3-11(4-2-10)14-8-15(20)16-12-5-6-13(7-12)17(16)18(14)21/h1-6,8,12-13,16-17H,7H2/t12-,13+,16+,17+/m0/s1
InChIKey CQXVFXLKZHWBFJ-NSNWQYSKSA-N
Molecular Weight 275.307 g/mol
SMILES C1(C(=CC([C@@]2([C@]1([C@@]1(C=C[C@@]2([H])C1)[H])[H])[H])=O)c1ccc(C#N)cc1)=O
SPLASH splash10-004j-0090000000-f144bad2cd1c50a305ac
Source of Spectrum J-54-191-8
Synonyms Benzonitrile, 4-(1,4,4a,5,8,8a-hexahydro-5,8-dioxo-1,4-methanonaphthalen-6-yl)-, (1.alpha.,4.alpha.,4a.alpha.,8a.alpha.)-(.+-.)- 4-[(1S,2R,7S,8R)-3,6-dioxotricyclo[6.2.1.0(2,7)]undeca-4,9-dien-4-yl]benzonitrile 6-(4'-Cyanophenyl)-1,4.alpha.,4a.alpha.,5.alpha.,8.beta.,8a.alpha.-hexahydro-1,4-methanonaphthalene-5,8-dione
Wiley ID 1279306