SpectraBase Spectrum ID |
2IlDyhNo0 |
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 |
958 |
Retention Index |
1300 |
SMILES |
C1(=C(C=CC=C1Cl)Cl)C#N |
SPLASH |
splash10-00di-4900000000-4b7fd72fbcf07129242a |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Diclobenil
2,6-dichlorobenzonitrile |
Technique |
GC/MS |
Wiley ID |
DD2024_005689 |