| SpectraBase Compound ID | CkxYWbfa3XA |
|---|---|
| InChI | InChI=1S/C15H20O3/c16-14(13-9-5-4-6-10-13)11-7-2-1-3-8-12-15(17)18/h4-6,9-10H,1-3,7-8,11-12H2,(H,17,18) |
| InChIKey | BFUPULAAJVYXRI-UHFFFAOYSA-N |
| Mol Weight | 248.32 g/mol |
| Molecular Formula | C15H20O3 |
| Exact Mass | 248.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HtjbGsJ5Qij |
|---|---|
| Name | 8-Benzoyloctanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.141244501 u |
| Formula | C15H20O3 |
| InChI | InChI=1S/C15H20O3/c16-14(13-9-5-4-6-10-13)11-7-2-1-3-8-12-15(17)18/h4-6,9-10H,1-3,7-8,11-12H2,(H,17,18) |
| InChIKey | BFUPULAAJVYXRI-UHFFFAOYSA-N |
| Molecular Weight | 248.322 g/mol |
| SMILES | C(C(=O)O)CCCCCCC(C1=CC=CC=C1)=O |