![2-[(5-carbethoxy-1H-pyrrol-3-yl)methyl]benzoic acid](/api/spectrum/EfKOq2a6tf0/structure.png?h=300&w=458 "2-[(5-carbethoxy-1H-pyrrol-3-yl)methyl]benzoic acid")
| SpectraBase Compound ID | L2UyggowShB |
|---|---|
| InChI | InChI=1S/C15H15NO4/c1-2-20-15(19)13-8-10(9-16-13)7-11-5-3-4-6-12(11)14(17)18/h3-6,8-9,16H,2,7H2,1H3,(H,17,18) |
| InChIKey | XJZWUFWFIZJAJD-UHFFFAOYSA-N |
| Mol Weight | 273.29 g/mol |
| Molecular Formula | C15H15NO4 |
| Exact Mass | 273.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EfKOq2a6tf0 |
|---|---|
| Name | 2-[(5-Carbethoxy-1H-pyrrol-3-yl)methyl]benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.100107963 u |
| Formula | C15H15NO4 |
| InChI | InChI=1S/C15H15NO4/c1-2-20-15(19)13-8-10(9-16-13)7-11-5-3-4-6-12(11)14(17)18/h3-6,8-9,16H,2,7H2,1H3,(H,17,18) |
| InChIKey | XJZWUFWFIZJAJD-UHFFFAOYSA-N |
| SMILES | C=1(NC=C(C1)CC=1C(C(=O)O)=CC=CC1)C(=O)OCC |