| SpectraBase Compound ID | 2XrGjgALNC7 |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-10(2)8-9-16-13(14)11-4-6-12(15-3)7-5-11/h4-8H,9H2,1-3H3 |
| InChIKey | LITKNAAHVCEDPN-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 | 3fWILpoAteA |
|---|---|
| Name | p-Anisic acid, 3-methylbut-2-enyl ester |
| 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/c1-10(2)8-9-16-13(14)11-4-6-12(15-3)7-5-11/h4-8H,9H2,1-3H3 |
| InChIKey | LITKNAAHVCEDPN-UHFFFAOYSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCC=C(C)C)=O)OC |