| SpectraBase Spectrum ID |
4mxTmkMlKwV |
| Name |
(3S,4R,5R,6S)-3,6-Dibenzyloxyoctane-4,5-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.214409442 u |
| Formula |
C22H30O4 |
| InChI |
InChI=1S/C22H30O4/c1-3-19(25-15-17-11-7-5-8-12-17)21(23)22(24)20(4-2)26-16-18-13-9-6-10-14-18/h5-14,19-24H,3-4,15-16H2,1-2H3/t19-,20-,21+,22+/m0/s1 |
| InChIKey |
UKRISBLNHXXEDU-FNAHDJPLSA-N |
| Molecular Weight |
358.478 g/mol |
| SMILES |
[C@@]([C@@]([C@@](OCC=1C=CC=CC1)(CC)[H])(O)[H])([C@@](OCC1=CC=CC=C1)(CC)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961088 |
