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5-(((6-(4-Chloro-3-methylphenyl)pyridazin-3-yl)oxy)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID 83yEhVstrJh
InChI InChI=1S/C14H12ClN5OS/c1-8-6-9(2-3-10(8)15)11-4-5-13(19-17-11)21-7-12-16-14(22)20-18-12/h2-6H,7H2,1H3,(H2,16,18,20,22)
InChIKey QWQATYBJQRHEMI-UHFFFAOYSA-N
Mol Weight 333.8 g/mol
Molecular Formula C14H12ClN5OS
Exact Mass 333.045109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5UUEPMiSzCp
Name 5-(((6-(4-Chloro-3-methylphenyl)pyridazin-3-yl)oxy)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12ClN5OS
InChI InChI=1S/C14H12ClN5OS/c1-8-6-9(2-3-10(8)15)11-4-5-13(19-17-11)21-7-12-16-14(22)20-18-12/h2-6H,7H2,1H3,(H2,16,18,20,22)
InChIKey QWQATYBJQRHEMI-UHFFFAOYSA-N
Instrument Name Schimadzu-GCMS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3662
Molecular Weight 333.797 g/mol
SMILES N1C(NN=C1COc1ccc(-c2cc(c(Cl)cc2)C)nn1)=S
SPLASH splash10-05rr-8933000000-21d5f8680fa4f5a231f4
Source of Spectrum Y-56-SM58-19
Wiley ID 1861252