| SpectraBase Compound ID | 86YkQJ4Isnw |
|---|---|
| InChI | InChI=1S/C16H16O2/c17-16(18)12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11H,6-7,12H2,(H,17,18) |
| InChIKey | OVUTXCURKKXBFM-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 | BFxTOWnEDno |
|---|---|
| Name | 2-(p-Phenethylphenyl)acetic 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/c17-16(18)12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11H,6-7,12H2,(H,17,18) |
| InChIKey | OVUTXCURKKXBFM-UHFFFAOYSA-N |
| Molecular Weight | 240.302 g/mol |
| SMILES | OC(=O)CC1=CC=C(C=C1)CCC=1C=CC=CC1 |