| SpectraBase Compound ID | JBoUjtO8Ed5 |
|---|---|
| InChI | InChI=1S/C16H24O4/c1-19-16(18)10-6-5-9-15(17)11-12-20-13-14-7-3-2-4-8-14/h2-4,7-8,15,17H,5-6,9-13H2,1H3 |
| InChIKey | ZMIYYXOYKMFXDN-UHFFFAOYSA-N |
| Mol Weight | 280.36 g/mol |
| Molecular Formula | C16H24O4 |
| Exact Mass | 280.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KQ3lLcw1Hkd |
|---|---|
| Name | Octanoic acid, 8-(benzyloxy)-6-hydroxy-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.167459249 u |
| Formula | C16H24O4 |
| InChI | InChI=1S/C16H24O4/c1-19-16(18)10-6-5-9-15(17)11-12-20-13-14-7-3-2-4-8-14/h2-4,7-8,15,17H,5-6,9-13H2,1H3 |
| InChIKey | ZMIYYXOYKMFXDN-UHFFFAOYSA-N |
| SMILES | C1=CC(COCCC(CCCCC(=O)OC)O)=CC=C1 |