| SpectraBase Compound ID | ENFn4ccfBk1 |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-19-17(18)9-7-5-3-2-4-6-8-14-10-11-15-16(12-14)21-13-20-15/h6,8,10-12H,2-5,7,9,13H2,1H3/b8-6+ |
| InChIKey | KHSMAFBSDSXYKO-SOFGYWHQSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1bL5GIACIQa |
|---|---|
| Name | (E)-9-(1,3-Benzodioxol-5-yl)non-8-enoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.151809184 u |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c1-19-17(18)9-7-5-3-2-4-6-8-14-10-11-15-16(12-14)21-13-20-15/h6,8,10-12H,2-5,7,9,13H2,1H3/b8-6+ |
| InChIKey | KHSMAFBSDSXYKO-SOFGYWHQSA-N |
| SMILES | C12=C(C=CC(=C2)\C=C\CCCCCCC(OC)=O)OCO1 |