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(1S,2S)-2-(Dibenzylamino)-3-methyl-1-[2-(diphenylphosphino)-phenyl]-butan-1-ol

View entire compound with spectra: 2 NMR

(1S,2S)-2-(Dibenzylamino)-3-methyl-1-[2-(diphenylphosphino)-phenyl]-butan-1-ol
SpectraBase Compound ID BAL8cdWGwBE
InChI InChI=1S/C37H38NOP/c1-29(2)36(38(27-30-17-7-3-8-18-30)28-31-19-9-4-10-20-31)37(39)34-25-15-16-26-35(34)40(32-21-11-5-12-22-32)33-23-13-6-14-24-33/h3-26,29,36-37,39H,27-28H2,1-2H3/t36-,37-/m0/s1
InChIKey GBCSQHSGTIJQJZ-BCRBLDSWSA-N
Mol Weight 543.7 g/mol
Molecular Formula C37H38NOP
Exact Mass 543.269102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EPKqAXKWwGs
Name (1S,2S)-2-(Dibenzylamino)-3-methyl-1-[2-(diphenylphosphino)-phenyl]-butan-1-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 543.269101845 u
Formula C37H38NOP
InChI InChI=1S/C37H38NOP/c1-29(2)36(38(27-30-17-7-3-8-18-30)28-31-19-9-4-10-20-31)37(39)34-25-15-16-26-35(34)40(32-21-11-5-12-22-32)33-23-13-6-14-24-33/h3-26,29,36-37,39H,27-28H2,1-2H3/t36-,37-/m0/s1
InChIKey GBCSQHSGTIJQJZ-BCRBLDSWSA-N
Molecular Weight 543.691 g/mol
SMILES C1(P(C2=CC=CC=C2)C2=C(C=CC=C2)[C@](O)([C@](C(C)C)(N(CC2=CC=CC=C2)CC2=CC=CC=C2)[H])[H])=CC=CC=C1