| SpectraBase Compound ID | G4vA1aSdtsV |
|---|---|
| InChI | InChI=1S/C16H18O4/c17-16(18)8-6-4-2-1-3-5-7-13-9-10-14-15(11-13)20-12-19-14/h5-11H,1-4,12H2,(H,17,18)/b7-5+,8-6+ |
| InChIKey | BTNNQKBYXMSXJQ-KQQUZDAGSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C16H18O4 |
| Exact Mass | 274.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ZzNGG735GS |
|---|---|
| Name | (2E,8E)-9-(1,3-Benzodioxol-5-yl)nona-2,8-dienoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.120509056 u |
| Formula | C16H18O4 |
| InChI | InChI=1S/C16H18O4/c17-16(18)8-6-4-2-1-3-5-7-13-9-10-14-15(11-13)20-12-19-14/h5-11H,1-4,12H2,(H,17,18)/b7-5+,8-6+ |
| InChIKey | BTNNQKBYXMSXJQ-KQQUZDAGSA-N |
| SMILES | C12=C(OCO2)C=CC(\C=C\CCCC\C=C\C(=O)O)=C1 |