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3-p-Chlorophenyl-7-ethoxycarbonyl-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID 5OhE5quNjhI
InChI InChI=1S/C19H15ClN4O2S/c1-2-26-18(25)16-15(12-6-4-3-5-7-12)23-24-17(21-22-19(24)27-16)13-8-10-14(20)11-9-13/h3-11,16H,2H2,1H3
InChIKey FPMZFUNUJQRTPG-UHFFFAOYSA-N
Mol Weight 398.87 g/mol
Molecular Formula C19H15ClN4O2S
Exact Mass 398.060425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HUh5oY4Htc
Name 3-p-Chlorophenyl-7-ethoxycarbonyl-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Comments Less than 3 mono-isotopic peaks
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Formula C19H15ClN4O2S
InChI InChI=1S/C19H15ClN4O2S/c1-2-26-18(25)16-15(12-6-4-3-5-7-12)23-24-17(21-22-19(24)27-16)13-8-10-14(20)11-9-13/h3-11,16H,2H2,1H3
InChIKey FPMZFUNUJQRTPG-UHFFFAOYSA-N
Molecular Weight 398.868 g/mol
SMILES c12[n](N=C(C(S2)C(=O)OCC)c2ccccc2)c(nn1)-c1ccc(cc1)Cl
SPLASH splash10-0002-0009300000-f7d9ca27de9b69fe496a
Source of Spectrum F-67-6269-15c
Wiley ID 1687564