| SpectraBase Compound ID | Fkn1sKdUzcI |
|---|---|
| InChI | InChI=1S/C14H11ClF3NO/c1-8-5-10(7-20)9(2)19(8)13-6-11(14(16,17)18)3-4-12(13)15/h3-7H,1-2H3 |
| InChIKey | LSPYILGYUXGISH-UHFFFAOYSA-N |
| Mol Weight | 301.7 g/mol |
| Molecular Formula | C14H11ClF3NO |
| Exact Mass | 301.048126 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GdCiJYfnqZx |
|---|---|
| Name | 1-(2-Chloro-5-trifluoromethyl-phenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.048126166 u |
| Formula | C14H11ClF3NO |
| InChI | InChI=1S/C14H11ClF3NO/c1-8-5-10(7-20)9(2)19(8)13-6-11(14(16,17)18)3-4-12(13)15/h3-7H,1-2H3 |
| InChIKey | LSPYILGYUXGISH-UHFFFAOYSA-N |
| Molecular Weight | 301.696 g/mol |
| SMILES | C(F)(F)(F)C1=CC(=C(C=C1)Cl)N1C(=C(C=C1C)C=O)C |