| SpectraBase Compound ID | 5FLsoZqBfa3 |
|---|---|
| InChI | InChI=1S/C18H20O2/c1-13(2)18(19)20-17-10-9-14(3)11-16(17)12-15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3 |
| InChIKey | GWPCZFUULFNJFK-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 | K5AqnEni6Az |
|---|---|
| Name | 2-Benzyl-4-methylphenol, 2-methylpropionate |
| 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(2)18(19)20-17-10-9-14(3)11-16(17)12-15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3 |
| InChIKey | GWPCZFUULFNJFK-UHFFFAOYSA-N |
| SMILES | C1(OC(C(C)C)=O)=C(C=C(C=C1)C)CC1=CC=CC=C1 |