Hexaconazole

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Systematic / IUPAC Name: 2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-hexanol

ID: Reference1146

Other Names: Hexaconazol;
1H-1,2,4-Triazole-1-ethanol, α-butyl-α-(2,4-dichlorophenyl)-;
Contaf;
Anvil;
Chlortriafol

Formula: C14H17Cl2N3O

Class: Pesticides/Herbicides

Spectral Data

Hexaconazole 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 4
No. of Spectra 964
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 12/5/2014 10:04:40 AM
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Identificators

InChI InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3
InChI Key STMIIPIFODONDC-UHFFFAOYSA-N
Canonical SMILES CCCCC(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O
CAS 79983714
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Other Names Hexaconazol;
1H-1,2,4-Triazole-1-ethanol, α-butyl-α-(2,4-dichlorophenyl)-;
Contaf;
Anvil;
Chlortriafol

In Other Databases

PubChem 66461
Wikipedia Hexaconazole
ChEMBL CHEMBL1898860
KEGG C18466
ChemIDPlus 079983714
ChemSpider 59833