| SpectraBase Compound ID | BkTZriPsgDQ |
|---|---|
| InChI | InChI=1S/C9H12O3/c1-7(2)6-12-9(10)8-4-3-5-11-8/h3-5,7H,6H2,1-2H3 |
| InChIKey | HREPSLLONKRVKD-UHFFFAOYSA-N |
| Mol Weight | 168.19 g/mol |
| Molecular Formula | C9H12O3 |
| Exact Mass | 168.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7xYnwUG2kZq |
|---|---|
| Name | 2-Furancarboxylic acid, 2-methylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.078644243 u |
| Formula | C9H12O3 |
| InChI | InChI=1S/C9H12O3/c1-7(2)6-12-9(10)8-4-3-5-11-8/h3-5,7H,6H2,1-2H3 |
| InChIKey | HREPSLLONKRVKD-UHFFFAOYSA-N |
| Molecular Weight | 168.192 g/mol |
| SMILES | C(=O)(OCC(C)C)C=1OC=CC1 |