| SpectraBase Spectrum ID |
I9TNkS5qzHa |
| Name |
trans-7-syn,8-anti-Dichloro-10-cyano-2,3:5,6-dibenzobicyclo[2.2.2]octa-2,5-diene |
| Alternate Name(s) |
(15S,16S)-15,16-dichlorotetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13-hexaene-4-carbonitrile |
| CAS Registry Number |
89955-36-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H11Cl2N |
| InChI |
InChI=1S/C17H11Cl2N/c18-16-14-10-3-1-2-4-11(10)15(17(16)19)13-7-9(8-20)5-6-12(13)14/h1-7,14-17H/t14-,15+,16+,17+/m1/s1 |
| InChIKey |
KQJJKJLLDJKBDH-QZWWFDLISA-N |
| Molecular Weight |
300.188 g/mol |
| SMILES |
[C@]12(c3c(cc(C#N)cc3)[C@@]([C@@]([C@]1(Cl)[H])(Cl)[H])(c1c2cccc1)[H])[H] |
| SPLASH |
splash10-0udi-0090000000-4312b8f3f45225240b29 |
| Source of Spectrum |
J-49-2373-0 |
| Wiley ID |
1301978 |
![trans-7-syn,8-anti-Dichloro-10-cyano-2,3:5,6-dibenzobicyclo[2.2.2]octa-2,5-diene](/api/spectrum/I9TNkS5qzHa/structure.png?h=300&w=458 "trans-7-syn,8-anti-Dichloro-10-cyano-2,3:5,6-dibenzobicyclo[2.2.2]octa-2,5-diene")
