SpectraBase Spectrum ID |
7BF5xDQYniK |
Name |
Phenyl .alpha.-D-sedoheptuloside |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
286.105252913 u |
Formula |
C13H18O7 |
InChI |
InChI=1S/C13H18O7/c14-6-9-10(15)11(16)12(17)13(18,20-9)7-19-8-4-2-1-3-5-8/h1-5,9-12,14-18H,6-7H2/t9-,10-,11-,12+,13-/m1/s1 |
InChIKey |
WUNXJKFDCMJWIT-NJMOYASZSA-N |
SMILES |
[C@@]1([C@](O[C@]([C@]([C@@]1(O)[H])(O)[H])(O)COC1=CC=CC=C1)(CO)[H])(O)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931894 |