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(2S)-2-Ethoxycarbonylamino-1,1,4,4-tetraphenylbutane-1,4-diol

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(2S)-2-Ethoxycarbonylamino-1,1,4,4-tetraphenylbutane-1,4-diol
SpectraBase Compound ID DCztmwDqChh
InChI InChI=1S/C31H31NO4/c1-2-36-29(33)32-28(31(35,26-19-11-5-12-20-26)27-21-13-6-14-22-27)23-30(34,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h3-22,28,34-35H,2,23H2,1H3,(H,32,33)/t28-/m0/s1
InChIKey IWFDBSLJHJBVOI-NDEPHWFRSA-N
Mol Weight 481.59 g/mol
Molecular Formula C31H31NO4
Exact Mass 481.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fJOu9BgiZo
Name (2S)-2-Ethoxycarbonylamino-1,1,4,4-tetraphenylbutane-1,4-diol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.225308478 u
Formula C31H31NO4
InChI InChI=1S/C31H31NO4/c1-2-36-29(33)32-28(31(35,26-19-11-5-12-20-26)27-21-13-6-14-22-27)23-30(34,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h3-22,28,34-35H,2,23H2,1H3,(H,32,33)/t28-/m0/s1
InChIKey IWFDBSLJHJBVOI-NDEPHWFRSA-N
Molecular Weight 481.592 g/mol
SMILES C(C[C@@](C(C=1C=CC=CC1)(C1=CC=CC=C1)O)(NC(=O)OCC)[H])(C1=CC=CC=C1)(C=1C=CC=CC1)O