| SpectraBase Compound ID | FJBi1ygwvze |
|---|---|
| InChI | InChI=1S/C7H14O2/c1-5(2)6(3)4-7(8)9/h5-6H,4H2,1-3H3,(H,8,9) |
| InChIKey | GETAKGOKCSRVLZ-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 | J6viXQMlIR9 |
|---|---|
| Name | 3,4-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/c1-5(2)6(3)4-7(8)9/h5-6H,4H2,1-3H3,(H,8,9) |
| InChIKey | GETAKGOKCSRVLZ-UHFFFAOYSA-N |
| Molecular Weight | 130.187 g/mol |
| SMILES | C(CC(O)=O)(C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950762 |