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2,6-Dichlorobenzonitrile
SpectraBase Compound ID GNk25A3kESE
InChI InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChIKey YOYAIZYFCNQIRF-UHFFFAOYSA-N
Mol Weight 172.01 g/mol
Molecular Formula C7H3Cl2N
Exact Mass 170.964255 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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