Metconazole

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Systematic / IUPAC Name: 5-(4-Chlorobenzyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol

ID: Reference3345

Other Names: 5-(4-Chlorophenylmethyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol;
5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentanol

Formula: C17H22ClN3O

Class: Pesticides/Herbicides

Spectral Data

Metconazole 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 241
Tandem Spectra MS1, MS2
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 11/12/2015 12:15:41 PM
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Identificators

InChI InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3
InChI Key XWPZUHJBOLQNMN-UHFFFAOYSA-N
Canonical SMILES CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C
CAS 125116236
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Other Names 5-(4-Chlorophenylmethyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol;
5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentanol

In Other Databases

ChemSpider 77764
KEGG C18476
ChemIDPlus 125116236
ChEBI CHEBI:81773
Wikipedia Metconazol (DE)
PubChem 86210