| SpectraBase Compound ID | BWvB4sikkZM |
|---|---|
| InChI | InChI=1S/C13H16O5/c1-15-10-7-5-9(6-8-11(14)16-2)12(17-3)13(10)18-4/h5-8H,1-4H3/b8-6+ |
| InChIKey | BDPRQDJNPJRLOB-SOFGYWHQSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C13H16O5 |
| Exact Mass | 252.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K8aHGfsKpFq |
|---|---|
| Name | Methyl 3-(2,3,4-trimethoxyphenyl)prop-2-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.099773610 u |
| Formula | C13H16O5 |
| InChI | InChI=1S/C13H16O5/c1-15-10-7-5-9(6-8-11(14)16-2)12(17-3)13(10)18-4/h5-8H,1-4H3/b8-6+ |
| InChIKey | BDPRQDJNPJRLOB-SOFGYWHQSA-N |
| Molecular Weight | 252.266 g/mol |
| SMILES | C1(OC)=C(C(\C=C\C(OC)=O)=CC=C1OC)OC |