| SpectraBase Compound ID | 5LbQOKMvpYo |
|---|---|
| InChI | InChI=1S/C18H20O2/c1-13-8-10-15(11-9-13)12-17(18(19)20-3)16-7-5-4-6-14(16)2/h4-11,17H,12H2,1-3H3 |
| InChIKey | GQBPJWGTINKSNO-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 | 5hgb0GD2hkk |
|---|---|
| Name | Methyl 2-o-tolyl-3-p-tolylpropanoate |
| 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/c1-13-8-10-15(11-9-13)12-17(18(19)20-3)16-7-5-4-6-14(16)2/h4-11,17H,12H2,1-3H3 |
| InChIKey | GQBPJWGTINKSNO-UHFFFAOYSA-N |
| SMILES | C(=O)(OC)C(CC=1C=CC(=CC1)C)C=1C(=CC=CC1)C |