| SpectraBase Spectrum ID |
4Xwm7QAxVY |
| Name |
1-(6,6-Dicyano-1,3,5-hexatrienyl)-1,3,5-Cycloheptatriene |
| Alternate Name(s) |
2-[(2E,4E)-5-(1,3,5-cycloheptatrien-1-yl)-2,4-pentadienylidene]malononitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H12N2 |
| InChI |
InChI=1S/C15H12N2/c16-12-15(13-17)11-7-3-6-10-14-8-4-1-2-5-9-14/h1-8,10-11H,9H2/b7-3+,10-6+ |
| InChIKey |
NDHAKRUADQFDHR-ASVGJQBISA-N |
| Molecular Weight |
220.275 g/mol |
| SMILES |
C(C#N)(C#N)=C\C=C\C=C\C1=CC=CC=CC1 |
| SPLASH |
splash10-01b9-0090000000-c08141ab2db55f74ae9b |
| Source of Spectrum |
AJ-66-279-3 |
| Wiley ID |
771939 |
