| SpectraBase Spectrum ID |
ZIf58VyHQO |
| Name |
p-Tolyl beta-D-xylopyranoside, triacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.131467660 u |
| Formula |
C18H22O8 |
| InChI |
InChI=1S/C18H22O8/c1-10-5-7-14(8-6-10)26-18-17(25-13(4)21)16(24-12(3)20)15(9-22-18)23-11(2)19/h5-8,15-18H,9H2,1-4H3/t15-,16+,17-,18+/m1/s1 |
| InChIKey |
WTYBDFZBSGLOIG-XDNAFOTISA-N |
| Molecular Weight |
366.366 g/mol |
| SMILES |
[C@@]1(OC[C@]([C@@]([C@]1(OC(C)=O)[H])(OC(C)=O)[H])(OC(=O)C)[H])(OC=1C=CC(=CC1)C)[H] |
| Spectrum/Structure Validation Score (Raman) |
0.951469 |
