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2-(2'-Diphenylphosphinoyl-2'-methyl-1'-oxoepropyl)-3-phenyl-1,3-diazabicyclo[3.3.0]octane
SpectraBase Compound ID AQjoFQZ1xhM
InChI InChI=1S/C28H31N2O2P/c1-28(2,33(32,24-16-8-4-9-17-24)25-18-10-5-11-19-25)26(31)27-29-20-12-15-23(29)21-30(27)22-13-6-3-7-14-22/h3-11,13-14,16-19,23,27H,12,15,20-21H2,1-2H3/t23-,27+/m0/s1
InChIKey NAGRHUACZBMDDG-WNCULLNHSA-N
Mol Weight 458.54 g/mol
Molecular Formula C28H31N2O2P
Exact Mass 458.212315 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dk04fmxwVIe
Name 2-(2'-Diphenylphosphinoyl-2'-methyl-1'-oxoepropyl)-3-phenyl-1,3-diazabicyclo[3.3.0]octane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H31N2O2P
InChI InChI=1S/C28H31N2O2P/c1-28(2,33(32,24-16-8-4-9-17-24)25-18-10-5-11-19-25)26(31)27-29-20-12-15-23(29)21-30(27)22-13-6-3-7-14-22/h3-11,13-14,16-19,23,27H,12,15,20-21H2,1-2H3/t23-,27+/m0/s1
InChIKey NAGRHUACZBMDDG-WNCULLNHSA-N
Molecular Weight 458.542 g/mol
SMILES [C@@]1(C(C(P(=O)(c2ccccc2)c2ccccc2)(C)C)=O)(N(C[C@]2(N1CCC2)[H])c1ccccc1)[H]
SPLASH splash10-001c-0940600000-911c0c22fb771a2f80e6
Source of Spectrum KC-0-2134-11
Synonyms (2R,5S)-2-(2'-Diphenylphosphinoyl-2'-methyl-1'-oxoepropyl)-3-phenyl-1,3-diazabicyclo[3.3.0]octane 1-[(3R,7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl]-2-diphenylphosphoryl-2-methyl-1-propanone 1-[(3R,7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl]-2-diphenylphosphoryl-2-methylpropan-1-one 1-[(3R,7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl]-2-diphenylphosphoryl-2-methyl-propan-1-one
Wiley ID 786377