| SpectraBase Compound ID | 4ZvqXT6mckd |
|---|---|
| InChI | InChI=1S/C14H16O3/c1-3-4-5-6-11-17-14(15)12-7-9-13(16-2)10-8-12/h3,5-10H,1,4,11H2,2H3/b6-5+ |
| InChIKey | MMHAXEDEWKTTTA-AATRIKPKSA-N |
| Mol Weight | 232.28 g/mol |
| Molecular Formula | C14H16O3 |
| Exact Mass | 232.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DIJgRQTr5Qv |
|---|---|
| Name | (2E)-4-Methoxybenzoic acid hexa-2,5-dienyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.109944372 u |
| Formula | C14H16O3 |
| InChI | InChI=1S/C14H16O3/c1-3-4-5-6-11-17-14(15)12-7-9-13(16-2)10-8-12/h3,5-10H,1,4,11H2,2H3/b6-5+ |
| InChIKey | MMHAXEDEWKTTTA-AATRIKPKSA-N |
| Molecular Weight | 232.279 g/mol |
| SMILES | C(C=1C=CC(=CC1)OC)(=O)OC\C=C\CC=C |