| SpectraBase Compound ID | LXKzUp2q3QA |
|---|---|
| InChI | InChI=1S/C17H18O3/c1-17(12-16(18)19,15-10-6-3-7-11-15)20-13-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,18,19) |
| InChIKey | TZYYIGNBOHKJEO-UHFFFAOYSA-N |
| Mol Weight | 270.33 g/mol |
| Molecular Formula | C17H18O3 |
| Exact Mass | 270.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 54EsCCEc0cw |
|---|---|
| Name | 3-(Benzyloxy)-3-phenylbutanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.125594437 u |
| Formula | C17H18O3 |
| InChI | InChI=1S/C17H18O3/c1-17(12-16(18)19,15-10-6-3-7-11-15)20-13-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,18,19) |
| InChIKey | TZYYIGNBOHKJEO-UHFFFAOYSA-N |
| SMILES | C(CC(C)(C=1C=CC=CC1)OCC=1C=CC=CC1)(=O)O |