| SpectraBase Compound ID | CJ9bYx8fUMN |
|---|---|
| InChI | InChI=1S/C18H20O2/c1-3-4-7-15-9-11-16(12-10-15)18(19)20-17-8-5-6-14(2)13-17/h5-6,8-13H,3-4,7H2,1-2H3 |
| InChIKey | JRMTVKFNYIYFDG-UHFFFAOYSA-N |
| Mol Weight | 268.36 g/mol |
| Molecular Formula | C18H20O2 |
| Exact Mass | 268.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 56CiUba7eV1 |
|---|---|
| Name | 4-Butylbenzoic acid, 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.146329882 u |
| Formula | C18H20O2 |
| InChI | InChI=1S/C18H20O2/c1-3-4-7-15-9-11-16(12-10-15)18(19)20-17-8-5-6-14(2)13-17/h5-6,8-13H,3-4,7H2,1-2H3 |
| InChIKey | JRMTVKFNYIYFDG-UHFFFAOYSA-N |
| SMILES | C(CCC1=CC=C(C=C1)C(=O)OC=1C=CC=C(C)C1)C |