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(2S,3S)-2-[4-(Dimethylamino)benzylideneamino]-3-methylpentyl bis(2,6-dimethylphenyl) phosphite
SpectraBase Compound ID HKB8RALeepI
InChI InChI=1S/C31H41N2O3P/c1-9-22(2)29(32-20-27-16-18-28(19-17-27)33(7)8)21-34-37(35-30-23(3)12-10-13-24(30)4)36-31-25(5)14-11-15-26(31)6/h10-20,22,29H,9,21H2,1-8H3/b32-20+/t22-,29+/m0/s1
InChIKey SHPODYFKOCNYPX-FPQDHAJPSA-N
Mol Weight 520.7 g/mol
Molecular Formula C31H41N2O3P
Exact Mass 520.28548 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDH8Yuge2Q4
Name (2S,3S)-2-[4-(Dimethylamino)benzylideneamino]-3-methylpentyl bis(2,6-dimethylphenyl) phosphite
Comments Computed using HOSE algorithm
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Exact Mass 520.285480183 u
Formula C31H41N2O3P
InChI InChI=1S/C31H41N2O3P/c1-9-22(2)29(32-20-27-16-18-28(19-17-27)33(7)8)21-34-37(35-30-23(3)12-10-13-24(30)4)36-31-25(5)14-11-15-26(31)6/h10-20,22,29H,9,21H2,1-8H3/b32-20+/t22-,29+/m0/s1
InChIKey SHPODYFKOCNYPX-FPQDHAJPSA-N
Molecular Weight 520.654 g/mol
SMILES C=1(OP(OC=2C(C)=CC=CC2C)OC[C@@](\N=C\C=2C=CC(N(C)C)=CC2)([C@](CC)(C)[H])[H])C(C)=CC=CC1C