Fenbuconazole

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Systematic / IUPAC Name: 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile

ID: Reference2839

Other Names: Fenethanil;
α-[2-(4-Chlorophenyl)ethyl]-α-phenyl-1H-1,2,4-triazole-1-propanenitrile;
1H-1,2,4-Triazole-1-propanenitrile, α-[2-(4-chlorophenyl)ethyl]-α-phenyl-;
4-(4-Chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile;
4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile

Formula: C19H17ClN4

Class: Pesticides/Herbicides

Spectral Data

Fenbuconazole mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead ; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 724
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 6/19/2015 12:34:40 PM
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Identificators

InChI InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2
InChI Key RQDJADAKIFFEKQ-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)C#N
CAS 114369436
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Other Names Fenethanil;
α-[2-(4-Chlorophenyl)ethyl]-α-phenyl-1H-1,2,4-triazole-1-propanenitrile;
1H-1,2,4-Triazole-1-propanenitrile, α-[2-(4-chlorophenyl)ethyl]-α-phenyl-;
4-(4-Chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile;
4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile;
Fenbuconazol

In Other Databases

KEGG C18461
ChemIDPlus EE4061402; 114369436; 119611006
PubChem 86138
ChEBI CHEBI:83920
ChemSpider 77712
Wikipedia Fenbuconazol (DE)