| SpectraBase Compound ID | 3dBkB7qFBEh |
|---|---|
| InChI | InChI=1S/C13H14O4/c1-8(14)11(9(2)15)6-10-4-5-12(16)13(7-10)17-3/h4-7,16H,1-3H3 |
| InChIKey | XMAWAPAJKQHUHU-UHFFFAOYSA-N |
| Mol Weight | 234.25 g/mol |
| Molecular Formula | C13H14O4 |
| Exact Mass | 234.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5HHBsFw8b9l |
|---|---|
| Name | 3-(4-Hydroxy-3-methoxybenzylidene)pentene-2,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.089208927 u |
| Formula | C13H14O4 |
| InChI | InChI=1S/C13H14O4/c1-8(14)11(9(2)15)6-10-4-5-12(16)13(7-10)17-3/h4-7,16H,1-3H3 |
| InChIKey | XMAWAPAJKQHUHU-UHFFFAOYSA-N |
| Molecular Weight | 234.251 g/mol |
| SMILES | C=1C(C=C(C(=O)C)C(=O)C)=CC(=C(C1)O)OC |