| SpectraBase Spectrum ID |
1OJrEVZceEu |
| Name |
1,4-Di(2-cyano-5,6;7,8-dibenzo-1,4-dimethylbicyclo[2.2.2]oct-2-enyl)buta-1,3-diyne |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H28N2 |
| InChI |
InChI=1S/C42H28N2/c1-39-27-15-5-9-19-31(27)41(3,32-20-10-6-16-28(32)39)37(25-43)35(39)23-13-14-24-36-38(26-44)42(4)33-21-11-7-17-29(33)40(36,2)30-18-8-12-22-34(30)42/h5-12,15-22H,1-4H3/t39-,40-,41+,42+ |
| InChIKey |
VCZVENZDBHGSNE-UHFFFAOYSA-N |
| Molecular Weight |
560.700 g/mol |
| SMILES |
[C@]12(C(=C(C#N)[C@@](c3c2cccc3)(C)c2c1cccc2)C#CC#CC=1[C@]2(c3ccccc3[C@@](C1C#N)(c1ccccc21)C)C)C |
| SPLASH |
splash10-0btc-0196070000-30cc8d2ee5b2fe78ee6a |
| Source of Spectrum |
QE-3-1111-11 |
| Wiley ID |
843065 |
![1,4-Di(2-cyano-5,6;7,8-dibenzo-1,4-dimethylbicyclo[2.2.2]oct-2-enyl)buta-1,3-diyne](/api/spectrum/1OJrEVZceEu/structure.png?h=300&w=458 "1,4-Di(2-cyano-5,6;7,8-dibenzo-1,4-dimethylbicyclo[2.2.2]oct-2-enyl)buta-1,3-diyne")
