| SpectraBase Compound ID | 73X5KUpGsUv |
|---|---|
| InChI | InChI=1S/C9H14O3/c1-3-11-9(10)8-6-7(2)4-5-12-8/h4,8H,3,5-6H2,1-2H3 |
| InChIKey | SBENLRUVWAJUTN-UHFFFAOYSA-N |
| Mol Weight | 170.21 g/mol |
| Molecular Formula | C9H14O3 |
| Exact Mass | 170.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bd84SrO8ljJ |
|---|---|
| Name | 4-Methyl-3,6-dihydro-2H-pyran-2-carboxylic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.094294308 u |
| Formula | C9H14O3 |
| InChI | InChI=1S/C9H14O3/c1-3-11-9(10)8-6-7(2)4-5-12-8/h4,8H,3,5-6H2,1-2H3 |
| InChIKey | SBENLRUVWAJUTN-UHFFFAOYSA-N |
| Molecular Weight | 170.208 g/mol |
| SMILES | C1(CC(=CCO1)C)C(=O)OCC |