| SpectraBase Spectrum ID |
Fpba9kcOzIH |
| Name |
2,6-Tetracyanomethylene-4,7,8-trichlotoazulene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H3Cl3N4 |
| InChI |
InChI=1S/C16H3Cl3N4/c17-11-1-8(9(4-20)5-21)2-13-12(3-11)14(10(6-22)7-23)16(19)15(13)18/h1-3H |
| InChIKey |
JDGHFCQDAFDHEE-UHFFFAOYSA-N |
| Molecular Weight |
357.587 g/mol |
| SMILES |
C=12C(C(=C(C#N)C#N)C(=C2Cl)Cl)=CC(Cl)=CC(C1)=C(C#N)C#N |
| SPLASH |
splash10-0a4i-0009000000-0b93e2aa291917579869 |
| Source of Spectrum |
C4-2000-1079-18 |
| Wiley ID |
1520001 |
