| SpectraBase Compound ID | J62UqPX2UEf |
|---|---|
| InChI | InChI=1S/C16H20O4/c17-16(18)8-6-4-2-1-3-5-7-13-9-10-14-15(11-13)20-12-19-14/h5,7,9-11H,1-4,6,8,12H2,(H,17,18)/b7-5+ |
| InChIKey | FVCPUAKEZYQXIF-FNORWQNLSA-N |
| Mol Weight | 276.33 g/mol |
| Molecular Formula | C16H20O4 |
| Exact Mass | 276.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYaz3V6Tce2 |
|---|---|
| Name | (E)-9-(1,3-Benzodioxol-5-yl)non-8-enoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.136159120 u |
| Formula | C16H20O4 |
| InChI | InChI=1S/C16H20O4/c17-16(18)8-6-4-2-1-3-5-7-13-9-10-14-15(11-13)20-12-19-14/h5,7,9-11H,1-4,6,8,12H2,(H,17,18)/b7-5+ |
| InChIKey | FVCPUAKEZYQXIF-FNORWQNLSA-N |
| SMILES | C12=C(C=CC(=C2)\C=C\CCCCCCC(O)=O)OCO1 |