| SpectraBase Compound ID | HtTkl0jmsp1 |
|---|---|
| InChI | InChI=1S/C16H22O3/c1-2-3-4-5-9-12-15(13-17)19-16(18)14-10-7-6-8-11-14/h6-8,10-11,13,15H,2-5,9,12H2,1H3/t15-/m1/s1 |
| InChIKey | FWCHQZXVYJBMHI-OAHLLOKOSA-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 | 380JlBEhq9j |
|---|---|
| Name | (R)-2-(Benzoyloxy)nonanal |
| 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/c1-2-3-4-5-9-12-15(13-17)19-16(18)14-10-7-6-8-11-14/h6-8,10-11,13,15H,2-5,9,12H2,1H3/t15-/m1/s1 |
| InChIKey | FWCHQZXVYJBMHI-OAHLLOKOSA-N |
| Molecular Weight | 262.349 g/mol |
| SMILES | C(O[C@@](C=O)(CCCCCCC)[H])(=O)C1=CC=CC=C1 |