| SpectraBase Spectrum ID |
HSgFq3TqL8P |
| Name |
2,4,6-tri-o-Benzyl-.alpha.-D-glucose |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.204238680 u |
| Formula |
C27H30O6 |
| InChI |
InChI=1S/C27H30O6/c28-24-25(31-17-21-12-6-2-7-13-21)23(19-30-16-20-10-4-1-5-11-20)33-27(29)26(24)32-18-22-14-8-3-9-15-22/h1-15,23-29H,16-19H2/t23-,24-,25+,26-,27-/m0/s1 |
| InChIKey |
CXVPIMVTYWPRQC-ZEEZOPKCSA-N |
| Molecular Weight |
450.531 g/mol |
| SMILES |
[C@@]1([C@@](O[C@@]([C@]([C@]1(O)[H])(OCC1=CC=CC=C1)[H])(O)[H])(COCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968482 |
