| SpectraBase Compound ID | KpwYfineico |
|---|---|
| InChI | InChI=1S/C18H20O2/c19-18(20)17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,19,20) |
| InChIKey | ZSDJHOFUWZAZOJ-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 | CmMG0YtNRtd |
|---|---|
| Name | 2-Phenethyl-4-phenyl-butyric acid |
| 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/c19-18(20)17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,19,20) |
| InChIKey | ZSDJHOFUWZAZOJ-UHFFFAOYSA-N |
| SMILES | C(=O)(C(CCC1=CC=CC=C1)CCC1=CC=CC=C1)O |