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Tioconazole

View entire compound with spectra: 1 FTIR, 1 Raman, and 10 MS (GC)

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 A0e2zIXdwyt
Name Tioconazole
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
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
SMILES c1nc[n](c1)CC(OCc1c(scc1)Cl)c1c(cc(cc1)Cl)Cl
SPLASH splash10-001i-3900000000-165973f2dc007c4bbe06
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences