| SpectraBase Compound ID | 2c6geEEOOO4 |
|---|---|
| InChI | InChI=1S/C14H15NO2/c1-9-7-8-10(2)15(9)13-6-4-5-12(11(13)3)14(16)17/h4-8H,1-3H3,(H,16,17) |
| InChIKey | KUCNTTWMSZKVRI-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 | 4nE7oViz1Ew |
|---|---|
| Name | 3-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-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/c1-9-7-8-10(2)15(9)13-6-4-5-12(11(13)3)14(16)17/h4-8H,1-3H3,(H,16,17) |
| InChIKey | KUCNTTWMSZKVRI-UHFFFAOYSA-N |
| Molecular Weight | 229.279 g/mol |
| SMILES | C=1(N(C(=CC1)C)C1=C(C(=CC=C1)C(=O)O)C)C |