| SpectraBase Compound ID | LLfdQyOLTN5 |
|---|---|
| InChI | InChI=1S/C7H14O2/c1-5-7(2,3)6(8)9-4/h5H2,1-4H3 |
| InChIKey | IGHXQNDUQCTKSH-UHFFFAOYSA-N |
| Mol Weight | 130.19 g/mol |
| Molecular Formula | C7H14O2 |
| Exact Mass | 130.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Br8JLLXFXPE |
|---|---|
| Name | 2,2-Dimethylbutanoic acid methylester |
| 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/c1-5-7(2,3)6(8)9-4/h5H2,1-4H3 |
| InChIKey | IGHXQNDUQCTKSH-UHFFFAOYSA-N |
| Molecular Weight | 130.187 g/mol |
| Nominal Mass | 130 u |
| SMILES | COC(=O)C(C)(C)CC |
| Spectrum/Structure Validation Score (Raman) | 0.972632 |