| SpectraBase Compound ID | B2qK8CcnNy1 |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-4-12(9(2)13(14)15)10-5-7-11(16-3)8-6-10/h4-9,12H,1H2,2-3H3,(H,14,15) |
| InChIKey | WHGSTAALBORMLM-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HOPtIhPE7xC |
|---|---|
| Name | 3-(4-Methoxyphenyl)-2-methylpent-4-enoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-4-12(9(2)13(14)15)10-5-7-11(16-3)8-6-10/h4-9,12H,1H2,2-3H3,(H,14,15) |
| InChIKey | WHGSTAALBORMLM-UHFFFAOYSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C(C(C(C=1C=CC(=CC1)OC)C=C)C)(=O)O |