| SpectraBase Spectrum ID |
L2LsO6tS0g |
| Name |
4,5-Dicyano-9,16,20,27-tetrahydro-20,27:9,16dimethanobinaphtho[2,3:2',3'-af]cyclooctatetraene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H18N2 |
| InChI |
InChI=1S/C28H18N2/c29-13-15-9-20-21-10-22(17-6-2-1-5-16(17)21)24(20)12-26-23-11-25(28(26)27(15)14-30)19-8-4-3-7-18(19)23/h1-9,12,21-23,25H,10-11H2/b15-9-,20-9-,24-12+,26-12-,27-15+,28-27-/t21-,22+,23-,25+/m0/s1 |
| InChIKey |
WYFAKAABWQTZMC-ICNDTZMKSA-N |
| Molecular Weight |
382.466 g/mol |
| SMILES |
C12=C([C@]3(C[C@@]2(c2c3cccc2)[H])[H])\C=C\(C#N)\C(=C/2\C(=C/1)[C@@]1(c3c(cccc3)[C@]2(C1)[H])[H])C#N |
| SPLASH |
splash10-001i-0009000000-b1efa6082d973e63fd94 |
| Source of Spectrum |
QE-5-2129-8 |
| Wiley ID |
844303 |
