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2-{(2S)-2'-[Hydroxy(diphenyl)methyl]pyrrolidin-1'-yl}-1,1-diphenylethanol

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2-{(2S)-2'-[Hydroxy(diphenyl)methyl]pyrrolidin-1'-yl}-1,1-diphenylethanol
SpectraBase Compound ID IC1DF745HZc
InChI InChI=1S/C31H31NO2/c33-30(25-14-5-1-6-15-25,26-16-7-2-8-17-26)24-32-23-13-22-29(32)31(34,27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-12,14-21,29,33-34H,13,22-24H2/t29-/m0/s1
InChIKey DQDIDCCCAOJVNL-LJAQVGFWSA-N
Mol Weight 449.59 g/mol
Molecular Formula C31H31NO2
Exact Mass 449.235479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5IV1ZBGWlUR
Name 2-{(2S)-2'-[Hydroxy(diphenyl)methyl]pyrrolidin-1'-yl}-1,1-diphenylethanol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.235479240 u
Formula C31H31NO2
InChI InChI=1S/C31H31NO2/c33-30(25-14-5-1-6-15-25,26-16-7-2-8-17-26)24-32-23-13-22-29(32)31(34,27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-12,14-21,29,33-34H,13,22-24H2/t29-/m0/s1
InChIKey DQDIDCCCAOJVNL-LJAQVGFWSA-N
Molecular Weight 449.594 g/mol
SMILES C(N1[C@](C(C=2C=CC=CC2)(C=2C=CC=CC2)O)(CCC1)[H])C(C=1C=CC=CC1)(C1=CC=CC=C1)O