| SpectraBase Compound ID | 45pWTviIbNp |
|---|---|
| InChI | InChI=1S/C11H14O5/c1-15-9-7-8(12)3-5-11(9,14)6-4-10(13)16-2/h3-6,9,14H,7H2,1-2H3 |
| InChIKey | PQHLYDVQONASLU-UHFFFAOYSA-N |
| Mol Weight | 226.23 g/mol |
| Molecular Formula | C11H14O5 |
| Exact Mass | 226.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JOHFdwGQE1J |
|---|---|
| Name | 2-Propenoic acid, 3-(1-hydroxy-6-methoxy-4-oxo-2-cyclohexen-1-yl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.084123546 u |
| Formula | C11H14O5 |
| InChI | InChI=1S/C11H14O5/c1-15-9-7-8(12)3-5-11(9,14)6-4-10(13)16-2/h3-6,9,14H,7H2,1-2H3 |
| InChIKey | PQHLYDVQONASLU-UHFFFAOYSA-N |
| Molecular Weight | 226.228 g/mol |
| SMILES | C1C(C=CC(C1OC)(\C=C\C(OC)=O)O)=O |