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(2S,3S)-O1-Acetyl-3-dibenzylamino-5-methylhexane-1,2-diol

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(2S,3S)-O1-Acetyl-3-dibenzylamino-5-methylhexane-1,2-diol
SpectraBase Compound ID Fs4lgMOlwhB
InChI InChI=1S/C23H31NO3/c1-18(2)14-22(23(26)17-27-19(3)25)24(15-20-10-6-4-7-11-20)16-21-12-8-5-9-13-21/h4-13,18,22-23,26H,14-17H2,1-3H3/t22-,23+/m0/s1
InChIKey LWTGIEFUTRCWQS-XZOQPEGZSA-N
Mol Weight 369.51 g/mol
Molecular Formula C23H31NO3
Exact Mass 369.230394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FzzzbX6eshc
Name (2S,3S)-O1-Acetyl-3-dibenzylamino-5-methylhexane-1,2-diol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.230393859 u
Formula C23H31NO3
InChI InChI=1S/C23H31NO3/c1-18(2)14-22(23(26)17-27-19(3)25)24(15-20-10-6-4-7-11-20)16-21-12-8-5-9-13-21/h4-13,18,22-23,26H,14-17H2,1-3H3/t22-,23+/m0/s1
InChIKey LWTGIEFUTRCWQS-XZOQPEGZSA-N
Molecular Weight 369.505 g/mol
SMILES C([C@]([C@](CC(C)C)(N(CC=1C=CC=CC1)CC=1C=CC=CC1)[H])(O)[H])OC(=O)C