| SpectraBase Compound ID | D7BXm8wYfgK |
|---|---|
| InChI | InChI=1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7) |
| InChIKey | AXFYFNCPONWUHW-UHFFFAOYSA-N |
| Mol Weight | 118.13 g/mol |
| Molecular Formula | C5H10O3 |
| Exact Mass | 118.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9ux95RwbPxp |
|---|---|
| Name | Butanoic acid, 3-hydroxy-3-methyl- |
| 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(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7) |
| InChIKey | AXFYFNCPONWUHW-UHFFFAOYSA-N |
| Molecular Weight | 118.132 g/mol |
| SMILES | C(O)(C)(CC(=O)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96565 |