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(+)-(6aR,6bS)-5,5-diphenyl-6b,7,8,9-tetrahydro-5H-(Sp-ferroceno)[d]pyrrolo[1',2':3,4]imidazo[5,1-b][1,3]oxazin-11(6aH)-one
SpectraBase Compound ID EkSbSxmMlrc
InChI InChI=1S/C24H21N2O2.C5H5.Fe/c27-23-25-16-8-15-21(25)22-26(23)20-14-7-13-19(20)24(28-22,17-9-3-1-4-10-17)18-11-5-2-6-12-18;1-2-4-5-3-1;/h1-7,9-14,21-22H,8,15-16H2;1-5H;/q2*-1;+2/t21-,22+;;/m0../s1
InChIKey HAEHEINFJHJMOC-VSIGASKDSA-N
Mol Weight 490.38 g/mol
Molecular Formula C29H26FeN2O2
Exact Mass 490.134364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GKq2YfDHCq9
Name (-)-(6aR,6bS)-5,5-diphenyl-6b,7,8,9-tetrahydro-5H-(Rp-ferroceno)[d]pyrrolo[1',2':3,4]imidazo[5,1-b][1,3]oxazin-11(6aH)-one
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Formula C29H26FeN2O2
InChI InChI=1S/C24H21N2O2.C5H5.Fe/c27-23-25-16-8-15-21(25)22-26(23)20-14-7-13-19(20)24(28-22,17-9-3-1-4-10-17)18-11-5-2-6-12-18;1-2-4-5-3-1;/h1-7,9-14,21-22H,8,15-16H2;1-5H;/q2*-1;+2/t21-,22+;;/m0../s1
InChIKey HAEHEINFJHJMOC-VSIGASKDSA-N
Molecular Weight 490.384 g/mol
SMILES [Fe+2].[cH-]1c2C(O[C@@]3([C@@]4([H])N(C(N3c2cc1)=O)CCC4)[H])(c1ccccc1)c1ccccc1.[cH-]1cccc1
SPLASH splash10-001r-9000000000-b36d18fbcb4c986ad6e6
Source of Spectrum ASC-357-2078-syn_15
Synonyms iron(II) (5aR,5bS)-10-oxo-4,4-diphenyl-3,4,5a,5b,7,8-hexahydro-6H,10H-cyclopenta[d]pyrrolo[1',2':3,4]imidazo[5,1-b][1,3]oxazin-3-ide cyclopenta-2,4-dien-1-ide
Wiley ID 1785111