| SpectraBase Compound ID | IN0E0Al3eAb |
|---|---|
| InChI | InChI=1S/C7H14O2/c1-4-5(2)6(3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)/t5-,6+/m1/s1 |
| InChIKey | LBUDVZDSWKZABS-RITPCOANSA-N |
| Mol Weight | 130.19 g/mol |
| Molecular Formula | C7H14O2 |
| Exact Mass | 130.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EocMZlFs14V |
|---|---|
| Name | (2S,3R)-2,3-Dimethylpentanoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.099379689 u |
| Formula | C7H14O2 |
| InChI | InChI=1S/C7H14O2/c1-4-5(2)6(3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)/t5-,6+/m1/s1 |
| InChIKey | LBUDVZDSWKZABS-RITPCOANSA-N |
| Molecular Weight | 130.187 g/mol |
| SMILES | C([C@]([C@@](CC)(C)[H])(C)[H])(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951031 |