| SpectraBase Spectrum ID |
6NIPbiyRA45 |
| Name |
Methyl 4,6-benzylidene-2,3-di-o-benzylglucoside |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.204238680 u |
| Formula |
C28H30O6 |
| InChI |
InChI=1S/C28H30O6/c1-29-28-26(31-18-21-13-7-3-8-14-21)25(30-17-20-11-5-2-6-12-20)24-23(33-28)19-32-27(34-24)22-15-9-4-10-16-22/h2-16,23-28H,17-19H2,1H3/t23-,24-,25?,26-,27?,28?/m1/s1 |
| InChIKey |
CVHUOBYFXKHVJR-XTBABOKESA-N |
| Molecular Weight |
462.542 g/mol |
| SMILES |
[C@@]12([C@](OC([C@@](C2OCC2=CC=CC=C2)(OCC2=CC=CC=C2)[H])OC)(COC(O1)C1=CC=CC=C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902508 |
