| SpectraBase Compound ID | BzPwdvOZOQx |
|---|---|
| InChI | InChI=1S/C18H20O3/c1-12(2)17-10-9-16(11-13(17)3)21-18(19)14-5-7-15(20-4)8-6-14/h5-12H,1-4H3 |
| InChIKey | KQEPIIOAYPUELQ-UHFFFAOYSA-N |
| Mol Weight | 284.36 g/mol |
| Molecular Formula | C18H20O3 |
| Exact Mass | 284.141245 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 | 9ykkTkslFpD |
|---|---|
| Name | Benzoic acid, 4-methoxy-, 3-methyl-4-(1-methylethyl)phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.141244501 u |
| Formula | C18H20O3 |
| InChI | InChI=1S/C18H20O3/c1-12(2)17-10-9-16(11-13(17)3)21-18(19)14-5-7-15(20-4)8-6-14/h5-12H,1-4H3 |
| InChIKey | KQEPIIOAYPUELQ-UHFFFAOYSA-N |
| SMILES | C(OC=1C=C(C)C(=CC1)C(C)C)(C1=CC=C(C=C1)OC)=O |