| SpectraBase Compound ID | HT9VNM1TMRF |
|---|---|
| InChI | InChI=1S/C17H18O4/c1-19-17(18)9-7-5-3-2-4-6-8-14-10-11-15-16(12-14)21-13-20-15/h3,5-12H,2,4,13H2,1H3/b5-3+,8-6+,9-7+ |
| InChIKey | HLJZJOPIVFTQNX-NFGBADIGSA-N |
| Mol Weight | 286.33 g/mol |
| Molecular Formula | C17H18O4 |
| Exact Mass | 286.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lamsp7HCxev |
|---|---|
| Name | 3-Benzodioxole-5-(2,4,8-triene-methyl nonaoate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.120509056 u |
| Formula | C17H18O4 |
| InChI | InChI=1S/C17H18O4/c1-19-17(18)9-7-5-3-2-4-6-8-14-10-11-15-16(12-14)21-13-20-15/h3,5-12H,2,4,13H2,1H3/b5-3+,8-6+,9-7+ |
| InChIKey | HLJZJOPIVFTQNX-NFGBADIGSA-N |
| SMILES | C1=C(\C=C\CC\C=C\C=C\C(OC)=O)C=CC2=C1OCO2 |