| SpectraBase Compound ID | 6eG79DCmMhP |
|---|---|
| InChI | InChI=1S/C15H20O3/c1-2-3-7-12(11-15(17)18)10-14(16)13-8-5-4-6-9-13/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H,17,18) |
| InChIKey | LCCMUXGKLMEKMK-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 | 7IQEkr4Tz9M |
|---|---|
| Name | 3-(Benzoylmethyl)heptanoic 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/c1-2-3-7-12(11-15(17)18)10-14(16)13-8-5-4-6-9-13/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H,17,18) |
| InChIKey | LCCMUXGKLMEKMK-UHFFFAOYSA-N |
| Molecular Weight | 248.322 g/mol |
| SMILES | C(CC(CC(=O)O)CCCC)(=O)C1=CC=CC=C1 |