| SpectraBase Compound ID | HCk8nGbN5FQ |
|---|---|
| InChI | InChI=1S/C13H16O3/c14-12(11-7-3-1-4-8-11)9-5-2-6-10-13(15)16/h1,3-4,7-8H,2,5-6,9-10H2,(H,15,16) |
| InChIKey | DOQWHEUDAHLEPT-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cet6ossFPHc |
|---|---|
| Name | 6-Benzoylhexanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c14-12(11-7-3-1-4-8-11)9-5-2-6-10-13(15)16/h1,3-4,7-8H,2,5-6,9-10H2,(H,15,16) |
| InChIKey | DOQWHEUDAHLEPT-UHFFFAOYSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | OC(CCCCCC(C1=CC=CC=C1)=O)=O |