| SpectraBase Compound ID | 2plDCv19oGl |
|---|---|
| InChI | InChI=1S/C16H16O2/c1-12(16(17)18)15-9-5-8-14(11-15)10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H,17,18) |
| InChIKey | RYYYTOGKTKBJDJ-UHFFFAOYSA-N |
| Mol Weight | 240.3 g/mol |
| Molecular Formula | C16H16O2 |
| Exact Mass | 240.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BjjpCilk2BY |
|---|---|
| Name | 2-(3-Benzylphenyl)propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.115029753 u |
| Formula | C16H16O2 |
| InChI | InChI=1S/C16H16O2/c1-12(16(17)18)15-9-5-8-14(11-15)10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H,17,18) |
| InChIKey | RYYYTOGKTKBJDJ-UHFFFAOYSA-N |
| Molecular Weight | 240.302 g/mol |
| SMILES | C(C(C)C=1C=C(C=CC1)CC=1C=CC=CC1)(=O)O |