| SpectraBase Compound ID | 1GhakUSp6vt |
|---|---|
| InChI | InChI=1S/C12H16O5S/c13-6-8-9(14)10(15)11(16)12(17-8)18-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10-,11-,12+/m0/s1 |
| InChIKey | OVLYAISOYPJBLU-KZZRWZIVSA-N |
| Mol Weight | 272.31 g/mol |
| Molecular Formula | C12H16O5S |
| Exact Mass | 272.071845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3n87JCmwl2X |
|---|---|
| Name | Phenyl-1-thio-.alpha.-D-glucopyranoside |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.071844784 u |
| Formula | C12H16O5S |
| InChI | InChI=1S/C12H16O5S/c13-6-8-9(14)10(15)11(16)12(17-8)18-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10-,11-,12+/m0/s1 |
| InChIKey | OVLYAISOYPJBLU-KZZRWZIVSA-N |
| SMILES | [C@@]1([C@@](O[C@@]([C@]([C@]1(O)[H])(O)[H])(SC1=CC=CC=C1)[H])(CO)[H])(O)[H] |