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3-((2,4-Dichlorophenoxy)methyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

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3-((2,4-Dichlorophenoxy)methyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID 5F72zIs2C6Y
InChI InChI=1S/C17H12Cl2N4OS/c18-12-6-7-15(13(19)8-12)24-9-16-20-21-17-23(16)22-14(10-25-17)11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKey FRYJFBBCGRBCDL-UHFFFAOYSA-N
Mol Weight 391.28 g/mol
Molecular Formula C17H12Cl2N4OS
Exact Mass 390.010888 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 31whEb29gEn
Name 3-(2,4-Dichlorophenoxymethyl)-6-phenyl-7H-1,2,4-triazolo[3,4-B]-1,3,4-thiadiazine
Comments Computed using HOSE algorithm
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Exact Mass 390.010887595 u
Formula C17H12Cl2N4OS
InChI InChI=1S/C17H12Cl2N4OS/c18-12-6-7-15(13(19)8-12)24-9-16-20-21-17-23(16)22-14(10-25-17)11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKey FRYJFBBCGRBCDL-UHFFFAOYSA-N
Molecular Weight 391.276 g/mol
SMILES C1(=NN2C(SC1)=NN=C2COc1c(cc(cc1)Cl)Cl)c1ccccc1