![1H-pyrrole-3-carboxylic acid, 4,5-dihydro-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-oxo-, methyl ester](/api/spectrum/1vGzYbWjamH/structure.png?h=300&w=458 "1H-pyrrole-3-carboxylic acid, 4,5-dihydro-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-oxo-, methyl ester")
| SpectraBase Compound ID | JioYizpX1Wr |
|---|---|
| InChI | InChI=1S/C16H19NO4/c1-11-14(16(19)21-3)10-15(18)17(11)9-8-12-4-6-13(20-2)7-5-12/h4-7H,8-10H2,1-3H3 |
| InChIKey | QROYQCMCXWINAG-UHFFFAOYSA-N |
| Mol Weight | 289.33 g/mol |
| Molecular Formula | C16H19NO4 |
| Exact Mass | 289.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1vGzYbWjamH |
|---|---|
| Name | 1H-Pyrrole-3-carboxylic acid, 4,5-dihydro-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-oxo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.131408092 u |
| Formula | C16H19NO4 |
| InChI | InChI=1S/C16H19NO4/c1-11-14(16(19)21-3)10-15(18)17(11)9-8-12-4-6-13(20-2)7-5-12/h4-7H,8-10H2,1-3H3 |
| InChIKey | QROYQCMCXWINAG-UHFFFAOYSA-N |
| SMILES | C1(=C(N(CCC2=CC=C(C=C2)OC)C(C1)=O)C)C(=O)OC |