| SpectraBase Compound ID | 7vkmmKyLPDM |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-2-3-4-5-6-10-14(16)17-13-9-7-8-12(15)11-13/h7-9,11,15H,2-6,10H2,1H3 |
| InChIKey | FZUNTZFKUFSWKS-UHFFFAOYSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C14H20O3 |
| Exact Mass | 236.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1fedaW4n9mA |
|---|---|
| Name | 1,3-Benzenediol, o-octanoyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.141244501 u |
| Formula | C14H20O3 |
| InChI | InChI=1S/C14H20O3/c1-2-3-4-5-6-10-14(16)17-13-9-7-8-12(15)11-13/h7-9,11,15H,2-6,10H2,1H3 |
| InChIKey | FZUNTZFKUFSWKS-UHFFFAOYSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | C1(=CC(=CC=C1)OC(CCCCCCC)=O)O |