| SpectraBase Compound ID | 7fPFSHvXCUN |
|---|---|
| InChI | InChI=1S/C9H10O4/c1-6-3-7(10)4-8(13-6)5-9(11)12-2/h3-4H,5H2,1-2H3 |
| InChIKey | PMSJRLNQCPEBNK-UHFFFAOYSA-N |
| Mol Weight | 182.17 g/mol |
| Molecular Formula | C9H10O4 |
| Exact Mass | 182.057909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GvYjLsguF7D |
|---|---|
| Name | 4H-Pyran-2-acetic acid, 6-methyl-4-oxo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.057908798 u |
| Formula | C9H10O4 |
| InChI | InChI=1S/C9H10O4/c1-6-3-7(10)4-8(13-6)5-9(11)12-2/h3-4H,5H2,1-2H3 |
| InChIKey | PMSJRLNQCPEBNK-UHFFFAOYSA-N |
| Molecular Weight | 182.175 g/mol |
| SMILES | C1(=CC(=O)C=C(O1)C)CC(=O)OC |