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(4aS,12bS)-10,11-dimethoxy-1,2,3,4,4a,5,7,8-octahydrobenzo[2,3]azeto[2,1-a]isoquinoline-picric acid (1/1)
SpectraBase Compound ID 16IKlKLFCyU
InChI InChI=1S/C17H23NO2.C6H3N3O7/c1-19-15-9-12-6-8-18-11-13-5-3-4-7-17(13,18)14(12)10-16(15)20-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h9-10,13H,3-8,11H2,1-2H3;1-2,10H/t13-,17-;/m0./s1
InChIKey WJLFBLMOHKZKDX-KYLFUZKPSA-N
Mol Weight 502.48 g/mol
Molecular Formula C23H26N4O9
Exact Mass 502.169978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L3X83Zi7c7x
Name (4aS,12bS)-10,11-dimethoxy-1,2,3,4,4a,5,7,8-octahydrobenzo[2,3]azeto[2,1-a]isoquinoline-picric acid (1/1)
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Formula C23H26N4O9
InChI InChI=1S/C17H23NO2.C6H3N3O7/c1-19-15-9-12-6-8-18-11-13-5-3-4-7-17(13,18)14(12)10-16(15)20-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h9-10,13H,3-8,11H2,1-2H3;1-2,10H/t13-,17-;/m0./s1
InChIKey WJLFBLMOHKZKDX-KYLFUZKPSA-N
Molecular Weight 502.480 g/mol
SMILES [N+](=O)([O-])c1cc(cc(c1O)[N+]([O-])=O)[N+](=O)[O-].C1[C@@]2([C@]3(CCC1)N(CCc1c3cc(c(c1)OC)OC)C2)[H]
SPLASH splash10-05gi-0090000000-5c6a4dfe71c3b7245694
Source of Spectrum K-112-3809-3809_2
Wiley ID 1794321