| SpectraBase Compound ID | LEPadUtPasi |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-5-6-7-10-8-12(15-3)13(16-4)9-11(10)14-2/h5-9H,1H2,2-4H3/b7-6+ |
| InChIKey | WACVTIABRPEUPH-VOTSOKGWSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5XUOLKWfzde |
|---|---|
| Name | (E)-1-(2,4,5-Trimethoxyphenyl)buta-1,3-diene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-5-6-7-10-8-12(15-3)13(16-4)9-11(10)14-2/h5-9H,1H2,2-4H3/b7-6+ |
| InChIKey | WACVTIABRPEUPH-VOTSOKGWSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C1(=C(C=C(C(=C1)OC)OC)OC)\C=C\C=C |