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(1R,3S,4S)-2-Bis(4-methylphenyl)phosphinyl-3-bis(4-methylphenyl)phosphinyloxymethyl-2-azabicyclo[2.2.1]heptane
SpectraBase Compound ID 3xt7LSvUqy0
InChI InChI=1S/C35H39NOP2/c1-25-5-15-31(16-6-25)38(32-17-7-26(2)8-18-32)36-30-14-13-29(23-30)35(36)24-37-39(33-19-9-27(3)10-20-33)34-21-11-28(4)12-22-34/h5-12,15-22,29-30,35H,13-14,23-24H2,1-4H3/t29-,30+,35+/m0/s1
InChIKey DUQBUOAMYTXCHT-CMKKOEAFSA-N
Mol Weight 551.7 g/mol
Molecular Formula C35H39NOP2
Exact Mass 551.250689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdF8Idy7B2I
Name (1R,3S,4S)-2-Bis(4-methylphenyl)phosphinyl-3-bis(4-methylphenyl)phosphinyloxymethyl-2-azabicyclo[2.2.1]heptane
Alternate Name(s) {(1R,3S,4S)-2-[bis(4-methylphenyl)phosphino]-2-azabicyclo[2.2.1]hept-3-yl}methyl bis(4-methylphenyl)phosphinite
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H39NOP2
InChI InChI=1S/C35H39NOP2/c1-25-5-15-31(16-6-25)38(32-17-7-26(2)8-18-32)36-30-14-13-29(23-30)35(36)24-37-39(33-19-9-27(3)10-20-33)34-21-11-28(4)12-22-34/h5-12,15-22,29-30,35H,13-14,23-24H2,1-4H3/t29-,30+,35+/m0/s1
InChIKey DUQBUOAMYTXCHT-CMKKOEAFSA-N
Molecular Weight 551.651 g/mol
SMILES [C@]1(N([C@]2(C[C@@]1(CC2)[H])[H])P(c1ccc(cc1)C)c1ccc(cc1)C)(COP(c1ccc(cc1)C)c1ccc(cc1)C)[H]
SPLASH splash10-03mi-0095010000-54dffa059a55bfbcb20f
Source of Spectrum C5-2004-2050-1
Wiley ID 1617243