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Metconazole
SpectraBase Compound ID HD6ndvytGvc
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
InChIKey XWPZUHJBOLQNMN-UHFFFAOYSA-N
Mol Weight 319.84 g/mol
Molecular Formula C17H22ClN3O
Exact Mass 319.14514 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JRfBxrGhO1O
Name Metconazole
Source of Sample Sigma-Aldrich Cat. #37909
CAS Registry Number 125116-23-6
Classification Pesticides: Fungicides
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22ClN3O
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
InChIKey XWPZUHJBOLQNMN-UHFFFAOYSA-N
Number of Peaks 48
RI1 2497
SMILES c1(Cl)ccc(CC2C(O)(C(C)(C)CC2)C[n]2ncnc2)cc1
SPLASH splash10-00au-9500000000-79367fb98db39aa95791
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-
Wiley ID LM_PEST_197