| SpectraBase Compound ID | F5Sac6BfWMC |
|---|---|
| InChI | InChI=1S/C7H14O2/c1-3-4-6(2)5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9) |
| InChIKey | NZQMQVJXSRMTCJ-UHFFFAOYSA-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 | JcNRPzat54y |
|---|---|
| Name | 3-Methyl-hexanoic 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/c1-3-4-6(2)5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9) |
| InChIKey | NZQMQVJXSRMTCJ-UHFFFAOYSA-N |
| Molecular Weight | 130.187 g/mol |
| SMILES | C(O)(CC(CCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988815 |