| SpectraBase Spectrum ID |
4iUhLeA811j |
| Name |
(2S,3S)-1,4-bis(N,N-Dibenzylamino)ethoxy]butane-2,3-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
568.330107901 u |
| Formula |
C36H44N2O4 |
| InChI |
InChI=1S/C36H44N2O4/c39-35(29-41-23-21-37(25-31-13-5-1-6-14-31)26-32-15-7-2-8-16-32)36(40)30-42-24-22-38(27-33-17-9-3-10-18-33)28-34-19-11-4-12-20-34/h1-20,35-36,39-40H,21-30H2/t35-,36-/m0/s1 |
| InChIKey |
BWEIQAXQYVGWBL-ZPGRZCPFSA-N |
| Molecular Weight |
568.758 g/mol |
| SMILES |
C(N(CC1=CC=CC=C1)CCOC[C@@]([C@@](O)(COCCN(CC=1C=CC=CC1)CC=1C=CC=CC1)[H])(O)[H])C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803068 |
![(2S,3S)-1,4-Bis(N,N-dibenzylamino)ethoxy]butane-2,3-diol](/api/spectrum/4iUhLeA811j/structure.png?h=300&w=458 "(2S,3S)-1,4-Bis(N,N-dibenzylamino)ethoxy]butane-2,3-diol")
