| SpectraBase Compound ID | H8B1jk84Q1p |
|---|---|
| InChI | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6-/m1/s1 |
| InChIKey | WQZGKKKJIJFFOK-QZABAPFNSA-N |
| Mol Weight | 180.16 g/mol |
| Molecular Formula | C6H12O6 |
| Exact Mass | 180.063388 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | E78czWwGSeV |
|---|---|
| Name | D-Allose |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.063388100 u |
| Formula | C6H12O6 |
| InChI | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6-/m1/s1 |
| InChIKey | WQZGKKKJIJFFOK-QZABAPFNSA-N |
| Molecular Weight | 180.156 g/mol |
| SMILES | O[C@@]1(O[C@@]([C@]([C@]([C@]1(O)[H])(O)[H])(O)[H])(CO)[H])[H] |
| Spectrum/Structure Validation Score (Raman) | 0.998735 |