| SpectraBase Spectrum ID |
ApK0w6w8fmh |
| Name |
o-(beta-D-Glucopyranosyloxy)benzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.089937201 u |
| Formula |
C13H15NO6 |
| InChI |
InChI=1S/C13H15NO6/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-13,15-18H,6H2/t9-,10-,11+,12-,13-/m1/s1 |
| InChIKey |
VNSVBNFUOYNQOT-UJPOAAIJSA-N |
| SMILES |
O[C@]1([C@@](O[C@@]([C@]([C@@]1(O)[H])(O)[H])(CO)[H])(OC1=C(C=CC=C1)C#N)[H])[H] |
| Spectrum/Structure Validation Score (Raman) |
0.854619 |
