| SpectraBase Compound ID | IMIbatjn5j6 |
|---|---|
| InChI | InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3 |
| InChIKey | XYVQFUJDGOBPQI-UHFFFAOYSA-N |
| Mol Weight | 118.13 g/mol |
| Molecular Formula | C5H10O3 |
| Exact Mass | 118.062994 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2LCT2hry7gd |
|---|---|
| Name | Methyl-2-hydroxyisobutyrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 118.062994179 u |
| Formula | C5H10O3 |
| InChI | InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3 |
| InChIKey | XYVQFUJDGOBPQI-UHFFFAOYSA-N |
| Molecular Weight | 118.132 g/mol |
| SMILES | OC(C(OC)=O)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.808492 |