| SpectraBase Spectrum ID |
8e9ynSZ1vKQ |
| Name |
6-Dicyanomethylene-4,7,8-trichlotoazulen-2-onee |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H3Cl3N2O |
| InChI |
InChI=1S/C13H3Cl3N2O/c14-7-1-8(19)3-10-9(2-7)11(6(4-17)5-18)13(16)12(10)15/h1-3H |
| InChIKey |
JKYJHJQWAWATFU-UHFFFAOYSA-N |
| Molecular Weight |
309.539 g/mol |
| SMILES |
C=12C(C(Cl)=C(C2=C(C#N)C#N)Cl)=CC(=O)C=C(C1)Cl |
| SPLASH |
splash10-08fr-0009000000-42b53f63adf9e0e4163f |
| Source of Spectrum |
C4-2000-1079-12 |
| Wiley ID |
1520000 |
