| SpectraBase Spectrum ID |
2e7dWT72tUQ |
| Name |
16,17-Dicyano-5,7,12,14-tetrahydro-5,14:7,12-dimethano-5a,12a-ethenopentacene |
| Alternate Name(s) |
(1R,2R,9S,12R,13R,20S)-octacyclo[10.10.2.1(2,9).1(13,20).0(1,10).0(3,8).0(12,21).0(14,19)]hexacosa-3,5,7,10,14,16,18,21,23-nonaene-23,24-dicarbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H18N2 |
| InChI |
InChI=1S/C28H18N2/c29-13-25-26(14-30)28-11-23-19-9-21(17-7-3-1-5-15(17)19)27(23,25)12-24(28)20-10-22(28)18-8-4-2-6-16(18)20/h1-8,11-12,19-22H,9-10H2/t19-,20-,21+,22+,27+,28+/m0/s1 |
| InChIKey |
MLOSEQWAMNLRFH-YPDAHNSLSA-N |
| Molecular Weight |
382.466 g/mol |
| SMILES |
[C@]123C([C@]4(C[C@@]3(c3c4cccc3)[H])[H])=C[C@@]3(C(=C2)[C@@]2(c4c(cccc4)[C@]3(C2)[H])[H])C(=C1C#N)C#N |
| SPLASH |
splash10-001i-0009000000-84ff87f0440a9ba540b7 |
| Source of Spectrum |
QE-5-2128-19 |
| Wiley ID |
844305 |
