| SpectraBase Compound ID | BGFGwlHIbw |
|---|---|
| InChI | InChI=1S/C17H12ClNO2/c18-13-8-6-12(7-9-13)15-10-14(16(19-15)17(20)21)11-4-2-1-3-5-11/h1-10,19H,(H,20,21) |
| InChIKey | PCLVEMYBWVOIDW-UHFFFAOYSA-N |
| Mol Weight | 297.74 g/mol |
| Molecular Formula | C17H12ClNO2 |
| Exact Mass | 297.055656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GjDO0iRa5aD |
|---|---|
| Name | 5-(4-Chlorophenyl)-3-phenyl-1H-pyrrole-2-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.055656328 u |
| Formula | C17H12ClNO2 |
| InChI | InChI=1S/C17H12ClNO2/c18-13-8-6-12(7-9-13)15-10-14(16(19-15)17(20)21)11-4-2-1-3-5-11/h1-10,19H,(H,20,21) |
| InChIKey | PCLVEMYBWVOIDW-UHFFFAOYSA-N |
| Molecular Weight | 297.741 g/mol |
| SMILES | C=1(NC(C=2C=CC(=CC2)Cl)=CC1C1=CC=CC=C1)C(=O)O |