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Tioconazole
SpectraBase Compound ID 21TH3g2WWbv
InChI InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2
InChIKey QXHHHPZILQDDPS-UHFFFAOYSA-N
Mol Weight 387.71 g/mol
Molecular Formula C16H13Cl3N2OS
Exact Mass 385.981417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMKiB76aFmj
Name Tioconazole
Source of Sample LGC Cat. #DRE-C17585500; www.lgcstandards.com
CAS Registry Number 65899-73-2
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 385.981417320 u
Formula C16H13Cl3N2OS
InChI InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2
InChIKey QXHHHPZILQDDPS-UHFFFAOYSA-N
Molecular Weight 387.712 g/mol
Number of Peaks 279
RI1 2824
RI2 2755
SMILES c1(c(cc(Cl)cc1)Cl)C(OCc1c(scc1)Cl)C[n]1ccnc1
SPLASH splash10-001i-4900000000-fb41a4692edb17e7136b
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-Imidazole, 1-[2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-
Wiley ID LM_PEST_1033