| SpectraBase Compound ID | BgC06cfLIcP |
|---|---|
| InChI | InChI=1S/C18H20O2/c1-13-9-10-14(2)18(15(13)3)20-17(19)12-11-16-7-5-4-6-8-16/h4-10H,11-12H2,1-3H3 |
| InChIKey | GDBGPBONMXBCPI-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 | G8sTPJ6Vm6d |
|---|---|
| Name | 2,3,6-Trimethylphenyl-.beta.-phenylpropionate |
| 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/c1-13-9-10-14(2)18(15(13)3)20-17(19)12-11-16-7-5-4-6-8-16/h4-10H,11-12H2,1-3H3 |
| InChIKey | GDBGPBONMXBCPI-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1)CCC(OC=1C(=CC=C(C1C)C)C)=O |