![Methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyrrole-3-carboxylate](/api/spectrum/JQ1J5WQMIc2/structure.png?h=300&w=458 "Methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyrrole-3-carboxylate")
| SpectraBase Compound ID | Jg22plG39BM |
|---|---|
| InChI | InChI=1S/C17H21NO4/c1-12-14(17(19)22-4)8-10-18(12)9-7-13-5-6-15(20-2)16(11-13)21-3/h5-6,8,10-11H,7,9H2,1-4H3 |
| InChIKey | WMJTXHLVXSXHBD-UHFFFAOYSA-N |
| Mol Weight | 303.36 g/mol |
| Molecular Formula | C17H21NO4 |
| Exact Mass | 303.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JQ1J5WQMIc2 |
|---|---|
| Name | Methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyrrole-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.147058156 u |
| Formula | C17H21NO4 |
| InChI | InChI=1S/C17H21NO4/c1-12-14(17(19)22-4)8-10-18(12)9-7-13-5-6-15(20-2)16(11-13)21-3/h5-6,8,10-11H,7,9H2,1-4H3 |
| InChIKey | WMJTXHLVXSXHBD-UHFFFAOYSA-N |
| SMILES | C1(=C(N(CCC=2C=C(OC)C(=CC2)OC)C=C1)C)C(=O)OC |