| SpectraBase Spectrum ID |
4EGfXzVuaVb |
| Name |
Tetraacetyl-benzyl-.beta.-D-glucoside |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.152597027 u |
| Formula |
C21H26O10 |
| InChI |
InChI=1S/C21H26O10/c1-12(22)27-11-17-18(28-13(2)23)19(29-14(3)24)20(30-15(4)25)21(26,31-17)10-16-8-6-5-7-9-16/h5-9,17-20,26H,10-11H2,1-4H3/t17-,18+,19-,20-,21+/m0/s1 |
| InChIKey |
QPJPTQYVYJMYJH-HGJUEJDCSA-N |
| Molecular Weight |
438.429 g/mol |
| SMILES |
[C@@]1([C@@](O[C@]([C@]([C@]1(OC(C)=O)[H])(OC(C)=O)[H])(O)CC1=CC=CC=C1)(COC(C)=O)[H])(OC(C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955972 |
