| SpectraBase Compound ID | Ae9sFs0prLG |
|---|---|
| InChI | InChI=1S/C7H14O2/c1-5(2)7(8)9-6(3)4/h5-6H,1-4H3 |
| InChIKey | WVRPFQGZHKZCEB-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 | 7s8VOjRaVLC |
|---|---|
| Name | Isobutyric acid, isopropyl ester |
| 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)7(8)9-6(3)4/h5-6H,1-4H3 |
| InChIKey | WVRPFQGZHKZCEB-UHFFFAOYSA-N |
| Molecular Weight | 130.187 g/mol |
| SMILES | CC(C(OC(C)C)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.99358 |