| SpectraBase Spectrum ID |
I4Xsd2NyDNM |
| Name |
16-(Cyanomethylene)-(1.alpha.,4.alpha.,4a.alpha.,5.beta.,14.beta.,14a.alpha.)-1,2,3,4,4a,5,14,14a-octahydro-1,4:5,14-dimethanopentacene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H21N |
| InChI |
InChI=1S/C26H21N/c27-8-7-18-19-5-6-20(18)26-24-13-23(25(19)26)21-11-16-9-14-3-1-2-4-15(14)10-17(16)12-22(21)24/h1-4,7,9-12,19-20,23-26H,5-6,13H2/b18-7-/t19-,20+,23+,24-,25+,26-/m0/s1 |
| InChIKey |
UXQBZJXLAOLFQG-WPRKXONBSA-N |
| Molecular Weight |
347.461 g/mol |
| SMILES |
[C@]12([C@]([C@]3(C[C@@]2(c2c3cc3c(c2)cc2c(cccc2)c3)[H])[H])([C@]2(\C([C@@]1(CC2)[H])=C\C#N)[H])[H])[H] |
| SPLASH |
splash10-06r6-9000000000-1c7ebdac6c2168146f97 |
| Source of Spectrum |
C-117-4372-4 |
| Synonyms |
Heptacyclo[14.6.1.1(18,21).0(2,15).0(4,13).0(6,11).0(17,22)]tetracosa-2,4,6,8,10,12,14-heptaen-24-ylideneacetonitrile |
| Wiley ID |
758915 |
