| SpectraBase Spectrum ID |
JI014fu3M7k |
| Name |
Casoron |
| CAS Registry Number |
1194-65-6 |
| Classification |
Benzonitrile herbicide |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
170.964254501 u |
| Formula |
C7H3Cl2N |
| InChI |
InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H |
| InChIKey |
YOYAIZYFCNQIRF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
172.014 g/mol |
| Nominal Mass |
171 u |
| Quality |
980 |
| Retention Index |
1300 |
| SMILES |
C1(=C(C=CC=C1Cl)Cl)C#N |
| SPLASH |
splash10-00di-9800000000-77355d63c980d06e859c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Diclobenil
2,6-dichlorobenzonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024587 |
