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2-N-Phenyl-6-N-tosyl-2,4,4a,5,6,7,9,10-octahydropyrrolo[3,4-c]pyridazino[1,2-a][2,4,10]triazoline-1,3-dione
SpectraBase Compound ID 53bzqbNjK5m
InChI InChI=1S/C21H20N4O4S/c1-15-7-9-18(10-8-15)30(28,29)22-13-16-11-12-23-20(26)24(17-5-3-2-4-6-17)21(27)25(23)19(16)14-22/h2-11,19H,12-14H2,1H3
InChIKey QYJHSZHCVHRMEQ-UHFFFAOYSA-N
Mol Weight 424.48 g/mol
Molecular Formula C21H20N4O4S
Exact Mass 424.120526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KxBwhPLXXGl
Name 2-N-Phenyl-6-N-tosyl-2,4,4a,5,6,7,9,10-octahydropyrrolo[3,4-c]pyridazino[1,2-a][2,4,10]triazoline-1,3-dione
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Formula C21H20N4O4S
InChI InChI=1S/C21H20N4O4S/c1-15-7-9-18(10-8-15)30(28,29)22-13-16-11-12-23-20(26)24(17-5-3-2-4-6-17)21(27)25(23)19(16)14-22/h2-11,19H,12-14H2,1H3
InChIKey QYJHSZHCVHRMEQ-UHFFFAOYSA-N
Molecular Weight 424.475 g/mol
SMILES C1(N2N(C(N1c1ccccc1)=O)CC=C1C2CN(S(c2ccc(cc2)C)(=O)=O)C1)=O
SPLASH splash10-00r7-3390100000-38ebb1a35a29b50b4f02
Source of Spectrum SO-0-1771-5
Wiley ID 878238