| SpectraBase Spectrum ID |
GPeU66kqGo |
| Name |
exo-(3,6-Dicyano-9,10-dihydrophenanthreno)-2':3',9:10-norbornane |
| Alternate Name(s) |
pentacyclo[14.2.1.0(2,15).0(3,8).0(9,14)]nonadeca-3,5,7,9,11,13-hexaene-6,11-dicarbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H16N2 |
| InChI |
InChI=1S/C21H16N2/c22-10-12-1-5-16-18(7-12)19-8-13(11-23)2-6-17(19)21-15-4-3-14(9-15)20(16)21/h1-2,5-8,14-15,20-21H,3-4,9H2/t14-,15+,20?,21? |
| InChIKey |
BNIXOZSZKCOOMH-XFKLWTPLSA-N |
| Molecular Weight |
296.373 g/mol |
| SMILES |
C12C(c3ccc(C#N)cc3-c3c2ccc(C#N)c3)[C@]2(C[C@@]1(CC2)[H])[H] |
| SPLASH |
splash10-004i-0090000000-ecb5f11f942c03404cb4 |
| Source of Spectrum |
F-50-393-3 |
| Wiley ID |
1299744 |
