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3,6-Bis((2,4-dichlorophenoxy)methyl)-[1,2,4]triazolo[3,4-b]-[1,3,4]thiadiazole
SpectraBase Compound ID CQzQuXVAYAG
InChI InChI=1S/C17H10Cl4N4O2S/c18-9-1-3-13(11(20)5-9)26-7-15-22-23-17-25(15)24-16(28-17)8-27-14-4-2-10(19)6-12(14)21/h1-6H,7-8H2
InChIKey HVNHWBJTNMZYGK-UHFFFAOYSA-N
Mol Weight 476.2 g/mol
Molecular Formula C17H10Cl4N4O2S
Exact Mass 473.927858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AqDAFChM19
Name 3,6-Bis((2,4-dichlorophenoxy)methyl)-[1,2,4]triazolo[3,4-b]-[1,3,4]thiadiazole
Comments Less than 3 mono-isotopic peaks
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Formula C17H10Cl4N4O2S
InChI InChI=1S/C17H10Cl4N4O2S/c18-9-1-3-13(11(20)5-9)26-7-15-22-23-17-25(15)24-16(28-17)8-27-14-4-2-10(19)6-12(14)21/h1-6H,7-8H2
InChIKey HVNHWBJTNMZYGK-UHFFFAOYSA-N
Molecular Weight 476.165 g/mol
SMILES c12[n](N=C(S2)COc2c(cc(cc2)Cl)Cl)c(nn1)COc1c(cc(cc1)Cl)Cl
SPLASH splash10-004i-0000900000-37c90d66446a5b646bc3
Source of Spectrum Y-45-1908-4d
Synonyms 3,6-bis[[2,4-bis(chloranyl)phenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Wiley ID 1704487