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Epoxiconazol
SpectraBase Compound ID 8Gbn9HL9umG
InChI InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17-/m0/s1
InChIKey ZMYFCFLJBGAQRS-IRXDYDNUSA-N
Mol Weight 329.76 g/mol
Molecular Formula C17H13ClFN3O
Exact Mass 329.073118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DBVuhUi1WX8
Name Epoxiconazol
Source of Sample Sigma-Aldrich Cat. #36848
CAS Registry Number 133855-98-8
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 329.073117913 u
Formula C17H13ClFN3O
InChI InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17-/m0/s1
InChIKey ZMYFCFLJBGAQRS-IRXDYDNUSA-N
Molecular Weight 329.762 g/mol
Number of Peaks 50
RI1 2413
SMILES c1n[n](cn1)C[C@@]1([C@@](O1)(c1c(cccc1)Cl)[H])c1ccc(cc1)F
SPLASH splash10-0006-2900000000-1a289d58f2d028f3caea
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 1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-, rel-
Wiley ID LM_PEST_171