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3-Benzyl-[1,2,4]triazino[3,4-b][1,3,4]thiadiazine-4,7,8(6H)-trione
SpectraBase Compound ID gYrNZanPRy
InChI InChI=1S/C12H8N4O3S/c17-9-11(19)20-12-14-13-8(10(18)16(12)15-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,15,17)
InChIKey YZCXIQGPTIRQOU-UHFFFAOYSA-N
Mol Weight 288.28 g/mol
Molecular Formula C12H8N4O3S
Exact Mass 288.031711 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dWtlSgPCq
Name 3-Benzyl-[1,2,4]triazino[3,4-b][1,3,4]thiadiazine-4,7,8(6H)-trione
Appearance Black powder
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Formula C12H8N4O3S
InChI InChI=1S/C12H8N4O3S/c17-9-11(19)20-12-14-13-8(10(18)16(12)15-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,15,17)
InChIKey YZCXIQGPTIRQOU-UHFFFAOYSA-N
Instrument Name Kratos MS equipment or Varian MAT 311A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2718
Molecular Weight 288.281 g/mol
SMILES N1C(C(SC2=NN=C(C(N12)=O)Cc1ccccc1)=O)=O
SPLASH splash10-0udi-9000000000-69e3d54693beefe8d62a
Source of Spectrum Y-54-1389-8
Thin-Layer Chromatography Rf = 0.37 (pet. ether (60:80) /EtOH, 1:2)
Wiley ID 1878193