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4-(3,4-Dichlorobenzoyl)-5-methylthio-1H-1,2,3-triazole
SpectraBase Compound ID BYZlQzqp6Qw
InChI InChI=1S/C10H7Cl2N3OS/c1-17-10-8(13-15-14-10)9(16)5-2-3-6(11)7(12)4-5/h2-4H,1H3,(H,13,14,15)
InChIKey COBBVDGUWHJINH-UHFFFAOYSA-N
Mol Weight 288.15 g/mol
Molecular Formula C10H7Cl2N3OS
Exact Mass 286.968688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBCWByBgOoe
Name 4-(3,4-Dichlorobenzoyl)-5-methylthio-1H-1,2,3-triazole
Comments Less than 3 mono-isotopic peaks
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Formula C10H7Cl2N3OS
InChI InChI=1S/C10H7Cl2N3OS/c1-17-10-8(13-15-14-10)9(16)5-2-3-6(11)7(12)4-5/h2-4H,1H3,(H,13,14,15)
InChIKey COBBVDGUWHJINH-UHFFFAOYSA-N
Molecular Weight 288.152 g/mol
SMILES [nH]1c(c(nn1)C(c1cc(c(cc1)Cl)Cl)=O)SC
SPLASH splash10-000i-0090000000-6c9cbdcfc378d9fd6244
Source of Spectrum SO-0-453-3
Synonyms (3,4-dichlorophenyl)[5-(methylsulfanyl)-1H-1,2,3-triazol-4-yl]methanone
Wiley ID 1540020