| SpectraBase Compound ID | JXasMAKEv8T |
|---|---|
| InChI | InChI=1S/C16H22O3/c17-15(14-10-6-5-7-11-14)12-8-3-1-2-4-9-13-16(18)19/h5-7,10-11H,1-4,8-9,12-13H2,(H,18,19) |
| InChIKey | KZXDTTMFTKLRDV-UHFFFAOYSA-N |
| Mol Weight | 262.35 g/mol |
| Molecular Formula | C16H22O3 |
| Exact Mass | 262.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GgL20Bp8gib |
|---|---|
| Name | 9-Benzoylnonanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.156894565 u |
| Formula | C16H22O3 |
| InChI | InChI=1S/C16H22O3/c17-15(14-10-6-5-7-11-14)12-8-3-1-2-4-9-13-16(18)19/h5-7,10-11H,1-4,8-9,12-13H2,(H,18,19) |
| InChIKey | KZXDTTMFTKLRDV-UHFFFAOYSA-N |
| Molecular Weight | 262.349 g/mol |
| SMILES | C(CCCCCCCCC(C1=CC=CC=C1)=O)(=O)O |