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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 HmgLkdC2YCe
Name Metkonazole
CAS Registry Number 125116-23-6
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
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
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
Nominal Mass 319 u
Number of Peaks 196
SMILES OC1(C(CCC1Cc1ccc(Cl)cc1)(C)C)C[n]1ncnc1
SPLASH splash10-004i-5910000000-32518b196422479aa385
Source Sigma-Aldrich
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI001080