| SpectraBase Compound ID | IPTFU56HkV |
|---|---|
| InChI | InChI=1S/C13H14O5/c1-9(15)18-13-11(16-2)7-10(5-4-6-14)8-12(13)17-3/h4-8H,1-3H3/b5-4+ |
| InChIKey | ZUJSHYQIANYKJH-SNAWJCMRSA-N |
| Mol Weight | 250.25 g/mol |
| Molecular Formula | C13H14O5 |
| Exact Mass | 250.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AZxQwgEsyLA |
|---|---|
| Name | (E)-3-(4-Acetyloxy-3,5-dimethoxyphenyl)-2-propenal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.084123546 u |
| Formula | C13H14O5 |
| InChI | InChI=1S/C13H14O5/c1-9(15)18-13-11(16-2)7-10(5-4-6-14)8-12(13)17-3/h4-8H,1-3H3/b5-4+ |
| InChIKey | ZUJSHYQIANYKJH-SNAWJCMRSA-N |
| Molecular Weight | 250.250 g/mol |
| SMILES | C(\C=C\C=1C=C(C(=C(C1)OC)OC(=O)C)OC)=O |