| SpectraBase Spectrum ID |
ESaBHH48RfR |
| Name |
dl-3-o-Propyl-2,6-di-o-benzyl-myo-inositol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.204238680 u |
| Formula |
C23H30O6 |
| InChI |
InChI=1S/C23H30O6/c1-2-13-27-22-19(25)18(24)21(28-14-16-9-5-3-6-10-16)20(26)23(22)29-15-17-11-7-4-8-12-17/h3-12,18-26H,2,13-15H2,1H3/t18-,19-,20-,21+,22+,23-/m1/s1 |
| InChIKey |
VIGRVLHCVJXZFD-LAAXVVMPSA-N |
| Molecular Weight |
402.487 g/mol |
| SMILES |
[C@@]1([C@]([C@@](OCC=2C=CC=CC2)([C@]([C@@]([C@]1(O)[H])(O)[H])(OCCC)[H])[H])(O)[H])(OCC1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847677 |
