| SpectraBase Compound ID | HQVclZf7fW0 |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-4-12-5-7-13(8-6-12)14(15)16-10-9-11(2)3/h5-9H,4,10H2,1-3H3 |
| InChIKey | GSCBZQNTZAPPKA-UHFFFAOYSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 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 | 5EDY3VAB0wN |
|---|---|
| Name | 4-Ethylbenzoic acid, 3-methylbut-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c1-4-12-5-7-13(8-6-12)14(15)16-10-9-11(2)3/h5-9H,4,10H2,1-3H3 |
| InChIKey | GSCBZQNTZAPPKA-UHFFFAOYSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C(=O)(OCC=C(C)C)C1=CC=C(CC)C=C1 |