| SpectraBase Compound ID | 3vmnv9zPLVd |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-11-4-6-13(7-5-11)14(15)17-10-12(2)8-9-16-3/h4-7,12H,8-10H2,1-3H3 |
| InChIKey | IDYDUCZUJWZQFI-UHFFFAOYSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C14H20O3 |
| Exact Mass | 236.141245 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 | 2kjYfKaADyN |
|---|---|
| Name | 4-Methylbenzoic acid, 4-methoxy-2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.141244501 u |
| Formula | C14H20O3 |
| InChI | InChI=1S/C14H20O3/c1-11-4-6-13(7-5-11)14(15)17-10-12(2)8-9-16-3/h4-7,12H,8-10H2,1-3H3 |
| InChIKey | IDYDUCZUJWZQFI-UHFFFAOYSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | C1(=CC=C(C=C1)C)C(=O)OCC(CCOC)C |