| SpectraBase Compound ID | 8kdLBYn71ma |
|---|---|
| InChI | InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8?/m1/s1 |
| InChIKey | OVRNDRQMDRJTHS-RTRLPJTCSA-N |
| Mol Weight | 221.21 g/mol |
| Molecular Formula | C8H15NO6 |
| Exact Mass | 221.089937 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3Tf8J40VdT |
|---|---|
| Name | N-Acetyl-D-glucosamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.089937201 u |
| Formula | C8H15NO6 |
| InChI | InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8?/m1/s1 |
| InChIKey | OVRNDRQMDRJTHS-RTRLPJTCSA-N |
| SMILES | O[C@]1([C@@]([C@](C(O[C@@]1(CO)[H])O)(NC(=O)C)[H])(O)[H])[H] |
| Spectrum/Structure Validation Score (Raman) | 0.95769 |