| SpectraBase Compound ID | Grlv5wXOXEB |
|---|---|
| InChI | InChI=1S/C10H14O3/c1-10(2,3)7-13-9(11)8-5-4-6-12-8/h4-6H,7H2,1-3H3 |
| InChIKey | MDQQGWVCIOMQLM-UHFFFAOYSA-N |
| Mol Weight | 182.22 g/mol |
| Molecular Formula | C10H14O3 |
| Exact Mass | 182.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FzrhsJD80xj |
|---|---|
| Name | 2-Furancarboxylic acid, 2,2-dimethylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.094294308 u |
| Formula | C10H14O3 |
| InChI | InChI=1S/C10H14O3/c1-10(2,3)7-13-9(11)8-5-4-6-12-8/h4-6H,7H2,1-3H3 |
| InChIKey | MDQQGWVCIOMQLM-UHFFFAOYSA-N |
| Molecular Weight | 182.219 g/mol |
| SMILES | CC(C)(C)COC(=O)C=1OC=CC1 |