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(6aS,9aS)-5-(2-Diphenylphosphanyl-phenyl)-1,2,3,3a,6a,7,8,9-octahydro-4-oxa-6-aza-cyclopenta[d]indene
SpectraBase Compound ID 2ENDx0wlIdx
InChI InChI=1S/C28H28NOP/c1-3-11-21(12-4-1)31(22-13-5-2-6-14-22)24-16-8-7-15-23(24)27-29-25-17-9-19-28(25)20-10-18-26(28)30-27/h1-8,11-16,25-26H,9-10,17-20H2/t25-,26?,28-/m0/s1
InChIKey BHXLTKIILPBBGB-ZEJIAQGSSA-N
Mol Weight 425.51 g/mol
Molecular Formula C28H28NOP
Exact Mass 425.190852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41dw0FlrSYM
Name (6aS,9aS)-5-(2-Diphenylphosphanyl-phenyl)-1,2,3,3a,6a,7,8,9-octahydro-4-oxa-6-aza-cyclopenta[d]indene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28NOP
InChI InChI=1S/C28H28NOP/c1-3-11-21(12-4-1)31(22-13-5-2-6-14-22)24-16-8-7-15-23(24)27-29-25-17-9-19-28(25)20-10-18-26(28)30-27/h1-8,11-16,25-26H,9-10,17-20H2/t25-,26?,28-/m0/s1
InChIKey BHXLTKIILPBBGB-ZEJIAQGSSA-N
Molecular Weight 425.512 g/mol
SMILES C1(=N[C@]2(CCC[C@@]22C(O1)CCC2)[H])c1c(P(c2ccccc2)c2ccccc2)cccc1
SPLASH splash10-0a5d-9310000000-ab0c0c1dbc884d69bdb5
Source of Spectrum KD-15-157-8
Synonyms (+)-3-(2-Diphenylphosphino)phenyl-2-aza-4-oxatricyclo[7.3.0.0(5,9)]dodeca-2-ene (3aS,6aS,9aS)-5-[2-(diphenylphosphino)phenyl]-1,2,3,3a,6a,7,8,9-octahydrodicyclopenta[d,e][1,3]oxazine
Wiley ID 1636656