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(5R,6S)-6-Dibenzylamino-5-hydroxy-7-phenylheptyl pivalate

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(5R,6S)-6-Dibenzylamino-5-hydroxy-7-phenylheptyl pivalate
SpectraBase Compound ID 6E6ZKA84G2z
InChI InChI=1S/C32H41NO3/c1-32(2,3)31(35)36-22-14-13-21-30(34)29(23-26-15-7-4-8-16-26)33(24-27-17-9-5-10-18-27)25-28-19-11-6-12-20-28/h4-12,15-20,29-30,34H,13-14,21-25H2,1-3H3/t29-,30+/m0/s1
InChIKey FKUSOAZUGHJKNF-XZWHSSHBSA-N
Mol Weight 487.7 g/mol
Molecular Formula C32H41NO3
Exact Mass 487.308644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kbk03KMtGNc
Name (5R,6S)-6-Dibenzylamino-5-hydroxy-7-phenylheptyl pivalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 487.308644181 u
Formula C32H41NO3
InChI InChI=1S/C32H41NO3/c1-32(2,3)31(35)36-22-14-13-21-30(34)29(23-26-15-7-4-8-16-26)33(24-27-17-9-5-10-18-27)25-28-19-11-6-12-20-28/h4-12,15-20,29-30,34H,13-14,21-25H2,1-3H3/t29-,30+/m0/s1
InChIKey FKUSOAZUGHJKNF-XZWHSSHBSA-N
Molecular Weight 487.684 g/mol
SMILES [C@@](N(CC=1C=CC=CC1)CC1=CC=CC=C1)(CC=1C=CC=CC1)([C@](O)(CCCCOC(C(C)(C)C)=O)[H])[H]