| SpectraBase Compound ID | HccA8yYmiz8 |
|---|---|
| InChI | InChI=1S/C6H15NO5/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,8-12H,1-2,7H2/t3-,4+,5-,6-/m1/s1 |
| InChIKey | SDOFMBGMRVAJNF-JGWLITMVSA-N |
| Mol Weight | 181.19 g/mol |
| Molecular Formula | C6H15NO5 |
| Exact Mass | 181.095023 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | A0VHkGvhGeJ |
|---|---|
| Name | 1-Amino-1-deoxy-D-glucitol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.095022582 u |
| Formula | C6H15NO5 |
| InChI | InChI=1S/C6H15NO5/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,8-12H,1-2,7H2/t3-,4+,5-,6-/m1/s1 |
| InChIKey | SDOFMBGMRVAJNF-JGWLITMVSA-N |
| SMILES | NC[C@]([C@]([C@@]([C@](CO)(O)[H])(O)[H])(O)[H])(O)[H] |
| Spectrum/Structure Validation Score (Raman) | 0.957997 |