| SpectraBase Compound ID | GPacENJEmPY |
|---|---|
| InChI | InChI=1S/C8H16N2O7/c11-1-3-4(13)5(14)6(15)7(17-3)10-8(16)9-2-12/h3-7,11-15H,1-2H2,(H2,9,10,16)/t3-,4-,5+,6-,7-/m1/s1 |
| InChIKey | YUZYWAVDXFWJKG-XUUWZHRGSA-N |
| Mol Weight | 252.22 g/mol |
| Molecular Formula | C8H16N2O7 |
| Exact Mass | 252.095751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9cnUBvNf1h8 |
|---|---|
| Name | 1-(beta-D-Glucopyranosyl)-3-(hydroxymethyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.095750856 u |
| Formula | C8H16N2O7 |
| InChI | InChI=1S/C8H16N2O7/c11-1-3-4(13)5(14)6(15)7(17-3)10-8(16)9-2-12/h3-7,11-15H,1-2H2,(H2,9,10,16)/t3-,4-,5+,6-,7-/m1/s1 |
| InChIKey | YUZYWAVDXFWJKG-XUUWZHRGSA-N |
| SMILES | O[C@]1([C@@](O[C@](CO)([C@]([C@@]1(O)[H])(O)[H])[H])(NC(=O)NCO)[H])[H] |