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Hexaconazole
SpectraBase Compound ID EF0Mkw5XorG
InChI InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3
InChIKey STMIIPIFODONDC-UHFFFAOYSA-N
Mol Weight 314.22 g/mol
Molecular Formula C14H17Cl2N3O
Exact Mass 313.074868 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BeJMvTtsaJ6
Name Hexaconazole
Source of Sample Sigma-Aldrich Cat. #34348
CAS Registry Number 79983-71-4
Classification Pesticides: Fungicides
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17Cl2N3O
InChI InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3
InChIKey STMIIPIFODONDC-UHFFFAOYSA-N
Number of Peaks 236
RI1 2150
SMILES c1(C(C[n]2ncnc2)(O)CCCC)c(cc(cc1)Cl)Cl
SPLASH splash10-001i-9660000000-739987f9423040253960
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1H-1,2,4-Triazole-1-ethanol, alpha-butyl-alpha-(2,4-dichlorophenyl)-
Wiley ID LM_PEST_107