Bromuconazole

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Systematic / IUPAC Name: 1-{[4-Bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl}-1,2,4-triazole

ID: Reference1582

Other Names: 1-[(2RS,4RS,2RS,4SR)-4-Bromo-2-(2,4-dichlorophenyl)tetrahydrofurfuryl]-1H-1,2,4-triazole ;
1H-1,2,4-Triazole, 1-{[4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl]methyl}-

Formula: C13H12BrCl2N3O

Class: Pesticides/Herbicides

Spectral Data

Bromuconazole 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 Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 108
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/25/2016 11:48:33 AM
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Identificators

InChI InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2
InChI Key HJJVPARKXDDIQD-UHFFFAOYSA-N
Canonical SMILES C1C(COC1(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)Br
CAS 116255482
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Other Names 1-[(2RS,4RS,2RS,4SR)-4-Bromo-2-(2,4-dichlorophenyl)tetrahydrofurfuryl]-1H-1,2,4-triazole ;
1H-1,2,4-Triazole, 1-{[4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl]methyl}-

In Other Databases

ChemIDPlus 116255482
ChEMBL CHEMBL271579
Wikipedia Bromuconazol (DE)
ChemSpider 3326
KEGG C18704
PubChem 3444