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3-Benzyl-[1,2,4]triazino[3,4-b][1,3,4]thiadiazine-4,7(6H,8H)-dione
SpectraBase Compound ID 8uGmPZSYJl
InChI InChI=1S/C12H10N4O2S/c17-10-7-19-12-14-13-9(11(18)16(12)15-10)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,17)
InChIKey SJAPGSKJRNZCLX-UHFFFAOYSA-N
Mol Weight 274.3 g/mol
Molecular Formula C12H10N4O2S
Exact Mass 274.052447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JYkz2jypgk4
Name 3-Benzyl-[1,2,4]triazino[3,4-b][1,3,4]thiadiazine-4,7(6H,8H)-dione
Appearance Dark red powder
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Formula C12H10N4O2S
InChI InChI=1S/C12H10N4O2S/c17-10-7-19-12-14-13-9(11(18)16(12)15-10)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,17)
InChIKey SJAPGSKJRNZCLX-UHFFFAOYSA-N
Instrument Name Kratos MS equipment or Varian MAT 311A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2718
Molecular Weight 274.298 g/mol
SMILES N1C(CSC2=NN=C(C(N12)=O)Cc1ccccc1)=O
SPLASH splash10-0002-9000000000-eb66566a8b0664ca3311
Source of Spectrum Y-54-1389-7
Thin-Layer Chromatography Rf = 0.32 (ethyl acetate/EtOH, 4:6)
Wiley ID 1878192