| SpectraBase Compound ID | LVqklGyTPMW |
|---|---|
| InChI | InChI=1S/C18H20O2/c1-12-6-8-17(15(4)9-12)18(19)20-11-16-10-13(2)5-7-14(16)3/h5-10H,11H2,1-4H3 |
| InChIKey | RARMAAOPLKXGLM-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 | Dfve6XSQqJh |
|---|---|
| Name | Benzoic acid, 2,4-dimethyl-, (2,5-dimethylphenyl)methyl 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/c1-12-6-8-17(15(4)9-12)18(19)20-11-16-10-13(2)5-7-14(16)3/h5-10H,11H2,1-4H3 |
| InChIKey | RARMAAOPLKXGLM-UHFFFAOYSA-N |
| SMILES | C(OC(=O)C1=C(C)C=C(C=C1)C)C1=C(C)C=CC(=C1)C |