| SpectraBase Compound ID | E9Z365nOvMc |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-11(2)5-4-10-17-14(15)12-6-8-13(16-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3 |
| InChIKey | LCLFFLCIGUCBMU-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 | 7mCi3fjgZ4s |
|---|---|
| Name | 4-Methoxybenzoic acid, 4-methylpentyl 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(2)5-4-10-17-14(15)12-6-8-13(16-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3 |
| InChIKey | LCLFFLCIGUCBMU-UHFFFAOYSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | C(OC(C=1C=CC(=CC1)OC)=O)CCC(C)C |