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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 7n5HHMrpX50
Name Metconazole
Source of Sample Sigma-Aldrich Cat. #37909
CAS Registry Number 125116-23-6
Classification Pesticides: Fungicides
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 319.145140039 u
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
Molecular Weight 319.836 g/mol
Number of Peaks 48
RI1 2497
SMILES OC1(C(Cc2ccc(Cl)cc2)CCC1(C)C)C[n]1ncnc1
SPLASH splash10-00au-9500000000-79367fb98db39aa95791
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
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