| SpectraBase Compound ID | 5EmbDJePTh2 |
|---|---|
| InChI | InChI=1S/C13H14O4/c1-7-4-8(2)12(9(3)5-7)10(14)6-11(15)13(16)17/h4-6,15H,1-3H3,(H,16,17)/b11-6- |
| InChIKey | SJTUBRICEXELFG-WDZFZDKYSA-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 | 9jXBQeZMyHj |
|---|---|
| Name | (2Z)-2-Hydroxy-4-mesityl-4-oxo-2-butenoic acid |
| 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/c1-7-4-8(2)12(9(3)5-7)10(14)6-11(15)13(16)17/h4-6,15H,1-3H3,(H,16,17)/b11-6- |
| InChIKey | SJTUBRICEXELFG-WDZFZDKYSA-N |
| Molecular Weight | 234.251 g/mol |
| SMILES | OC(\C(=C\C(C1=C(C=C(C=C1C)C)C)=O)O)=O |