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(2R,3S,4S)-2-(Benzhydrylamino)-4-methylhexane-1,3-diol

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(2R,3S,4S)-2-(Benzhydrylamino)-4-methylhexane-1,3-diol
SpectraBase Compound ID LldwWpCJAvC
InChI InChI=1S/C20H27NO2/c1-3-15(2)20(23)18(14-22)21-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18-23H,3,14H2,1-2H3/t15-,18+,20-/m0/s1
InChIKey SXJRDFMEJMTARH-CVAIRZPRSA-N
Mol Weight 313.44 g/mol
Molecular Formula C20H27NO2
Exact Mass 313.204179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BEiBA13c47S
Name (2R,3S,4S)-2-(Benzhydrylamino)-4-methylhexane-1,3-diol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.204179111 u
Formula C20H27NO2
InChI InChI=1S/C20H27NO2/c1-3-15(2)20(23)18(14-22)21-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18-23H,3,14H2,1-2H3/t15-,18+,20-/m0/s1
InChIKey SXJRDFMEJMTARH-CVAIRZPRSA-N
Molecular Weight 313.441 g/mol
SMILES [C@@](NC(C=1C=CC=CC1)C1=CC=CC=C1)([C@]([C@](CC)(C)[H])(O)[H])(CO)[H]