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(2R,3S)-1-(diallylamino)-2-(dibenzylamino)hexan-3-ol

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(2R,3S)-1-(diallylamino)-2-(dibenzylamino)hexan-3-ol
SpectraBase Compound ID CbzTenqMA0z
InChI InChI=1S/C26H36N2O/c1-4-13-26(29)25(22-27(18-5-2)19-6-3)28(20-23-14-9-7-10-15-23)21-24-16-11-8-12-17-24/h5-12,14-17,25-26,29H,2-4,13,18-22H2,1H3/t25-,26+/m1/s1
InChIKey WQNVRYTXHBDEPG-FTJBHMTQSA-N
Mol Weight 392.6 g/mol
Molecular Formula C26H36N2O
Exact Mass 392.282764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5GYScifvJ7Z
Name (2R,3S)-1-(Diallylamino)-2-(dibenzylamino)hexan-3-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.282763786 u
Formula C26H36N2O
InChI InChI=1S/C26H36N2O/c1-4-13-26(29)25(22-27(18-5-2)19-6-3)28(20-23-14-9-7-10-15-23)21-24-16-11-8-12-17-24/h5-12,14-17,25-26,29H,2-4,13,18-22H2,1H3/t25-,26+/m1/s1
InChIKey WQNVRYTXHBDEPG-FTJBHMTQSA-N
Molecular Weight 392.587 g/mol
SMILES [C@](N(CC1=CC=CC=C1)CC=1C=CC=CC1)(CN(CC=C)CC=C)([C@@](O)(CCC)[H])[H]