| SpectraBase Compound ID | BIqs3fP40nJ |
|---|---|
| InChI | InChI=1S/C4H11NO2/c1-3(7)4(5)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4-/m0/s1 |
| InChIKey | MUVQIIBPDFTEKM-IMJSIDKUSA-N |
| Mol Weight | 105.14 g/mol |
| Molecular Formula | C4H11NO2 |
| Exact Mass | 105.078979 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 701Sznf1Mle |
|---|---|
| Name | D-Threoninol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 105.078978596 u |
| Formula | C4H11NO2 |
| InChI | InChI=1S/C4H11NO2/c1-3(7)4(5)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4-/m0/s1 |
| InChIKey | MUVQIIBPDFTEKM-IMJSIDKUSA-N |
| Molecular Weight | 105.137 g/mol |
| SMILES | [C@@]([C@@](O)(C)[H])(N)(CO)[H] |
| Spectrum/Structure Validation Score (Raman) | 0.92997 |