| SpectraBase Compound ID | DktuJlCmPVm |
|---|---|
| InChI | InChI=1S/C14H16O4/c1-10(13(15)17-2)4-5-11-6-8-12(9-7-11)14(16)18-3/h6-9H,1,4-5H2,2-3H3 |
| InChIKey | AOYCLUYGPYBIQF-UHFFFAOYSA-N |
| Mol Weight | 248.28 g/mol |
| Molecular Formula | C14H16O4 |
| Exact Mass | 248.104859 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 | Dy3BFs8MQtL |
|---|---|
| Name | 4-(3-Carbomethoxybut-3-enyl)benzoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.104858991 u |
| Formula | C14H16O4 |
| InChI | InChI=1S/C14H16O4/c1-10(13(15)17-2)4-5-11-6-8-12(9-7-11)14(16)18-3/h6-9H,1,4-5H2,2-3H3 |
| InChIKey | AOYCLUYGPYBIQF-UHFFFAOYSA-N |
| Molecular Weight | 248.278 g/mol |
| SMILES | C(C=1C=CC(=CC1)CCC(=C)C(=O)OC)(=O)OC |