| SpectraBase Spectrum ID |
C3lElTxhBE |
| Name |
2,6-Xylyl beta-D-xylopyranoside |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.115423675 u |
| Formula |
C13H18O5 |
| InChI |
InChI=1S/C13H18O5/c1-7-4-3-5-8(2)12(7)18-13-11(16)10(15)9(14)6-17-13/h3-5,9-11,13-16H,6H2,1-2H3/t9-,10+,11-,13+/m1/s1 |
| InChIKey |
DUTJWPGLFSCJTE-XZUYRWCXSA-N |
| Molecular Weight |
254.282 g/mol |
| SMILES |
O[C@]1([C@@]([C@]([C@@](OC1)(OC=1C(=CC=CC1C)C)[H])(O)[H])(O)[H])[H] |
| Spectrum/Structure Validation Score (Raman) |
0.805546 |
