| SpectraBase Compound ID | 62sYfmhNiMI |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-11(2)7-6-10-17-14(15)12-8-4-5-9-13(12)16-3/h4-5,8-9,11H,6-7,10H2,1-3H3 |
| InChIKey | ZKAAYWNAMSYWQF-UHFFFAOYSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C14H20O3 |
| Exact Mass | 236.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5kHbMvJrIL7 |
|---|---|
| Name | 2-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)7-6-10-17-14(15)12-8-4-5-9-13(12)16-3/h4-5,8-9,11H,6-7,10H2,1-3H3 |
| InChIKey | ZKAAYWNAMSYWQF-UHFFFAOYSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | C(OC(C=1C(=CC=CC1)OC)=O)CCC(C)C |