| SpectraBase Compound ID | KaUfsKbStE2 |
|---|---|
| InChI | InChI=1S/C13H13NO2/c1-9-3-4-10(2)14(9)12-7-5-11(6-8-12)13(15)16/h3-8H,1-2H3,(H,15,16) |
| InChIKey | WNZAIUIEXCYTCY-UHFFFAOYSA-N |
| Mol Weight | 215.25 g/mol |
| Molecular Formula | C13H13NO2 |
| Exact Mass | 215.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7KDzMpjR5Hh |
|---|---|
| Name | Benzoic acid, 4-(2,5-dimethyl-1H-pyrrol-1-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.094628661 u |
| Formula | C13H13NO2 |
| InChI | InChI=1S/C13H13NO2/c1-9-3-4-10(2)14(9)12-7-5-11(6-8-12)13(15)16/h3-8H,1-2H3,(H,15,16) |
| InChIKey | WNZAIUIEXCYTCY-UHFFFAOYSA-N |
| Molecular Weight | 215.252 g/mol |
| SMILES | OC(C=1C=CC(N2C(=CC=C2C)C)=CC1)=O |