| SpectraBase Spectrum ID |
3mNmKTjMUtI |
| Name |
.beta.-D-Glucopyranoside, 4-(acetyloxy)phenyl, tetraacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
482.142426265 u |
| Formula |
C22H26O12 |
| InChI |
InChI=1S/C22H26O12/c1-11(23)28-10-18-19(30-13(3)25)20(31-14(4)26)21(32-15(5)27)22(34-18)33-17-8-6-16(7-9-17)29-12(2)24/h6-9,18-22H,10H2,1-5H3/t18-,19-,20+,21-,22-/m1/s1 |
| InChIKey |
XGHWMISYPPWNDJ-QMCAAQAGSA-N |
| Molecular Weight |
482.438 g/mol |
| SMILES |
C(O[C@@]1([C@@](OC(C)=O)([C@](OC2=CC=C(C=C2)OC(C)=O)(O[C@@]([C@]1(OC(C)=O)[H])(COC(C)=O)[H])[H])[H])[H])(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969649 |
