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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

View entire compound with spectra: 2 MS (GC)

(+)-(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 FQ5kJ65NEvv
Name (+)-(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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1002/adsc.201500105
Molecular Weight 490.384 g/mol
SMILES [Fe+2].c1[cH-]c2c(C(O[C@@]3([C@]4(N(C(=O)N23)CCC4)[H])[H])(c2ccccc2)c2ccccc2)c1.[cH-]1cccc1
SPLASH splash10-0a4j-9600100000-b5a23d59f0d4478d6084
Source of Spectrum ASC-357-2076-syn_10
Synonyms iron(II) (5aR,5bS)-10-oxo-4,4-diphenyl-1,4,5a,5b,7,8-hexahydro-6H,10H-cyclopenta[d]pyrrolo[1',2':3,4]imidazo[5,1-b][1,3]oxazin-1-ide cyclopenta-2,4-dien-1-ide
Wiley ID 1785110