| SpectraBase Compound ID | L4P5K4twgak |
|---|---|
| InChI | InChI=1S/C14H15NO2/c1-9-8-12(14(16)17)6-7-13(9)15-10(2)4-5-11(15)3/h4-8H,1-3H3,(H,16,17) |
| InChIKey | WFLCJVLXABNRGL-UHFFFAOYSA-N |
| Mol Weight | 229.28 g/mol |
| Molecular Formula | C14H15NO2 |
| Exact Mass | 229.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A0GK78QU1bP |
|---|---|
| Name | 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.110278725 u |
| Formula | C14H15NO2 |
| InChI | InChI=1S/C14H15NO2/c1-9-8-12(14(16)17)6-7-13(9)15-10(2)4-5-11(15)3/h4-8H,1-3H3,(H,16,17) |
| InChIKey | WFLCJVLXABNRGL-UHFFFAOYSA-N |
| Molecular Weight | 229.279 g/mol |
| SMILES | C=1(N(C(=CC1)C)C1=C(C=C(C=C1)C(=O)O)C)C |