| SpectraBase Compound ID | 5rB3UtDWgoa |
|---|---|
| InChI | InChI=1S/C12H10ClFN2O2/c1-7-10(12(17)18-2)11(13)16(15-7)9-5-3-8(14)4-6-9/h3-6H,1-2H3 |
| InChIKey | XYJBCGKJIYHRPK-UHFFFAOYSA-N |
| Mol Weight | 268.68 g/mol |
| Molecular Formula | C12H10ClFN2O2 |
| Exact Mass | 268.041483 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6SIDKuPgy5w |
|---|---|
| Name | 5-Chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.041483431 u |
| Formula | C12H10ClFN2O2 |
| InChI | InChI=1S/C12H10ClFN2O2/c1-7-10(12(17)18-2)11(13)16(15-7)9-5-3-8(14)4-6-9/h3-6H,1-2H3 |
| InChIKey | XYJBCGKJIYHRPK-UHFFFAOYSA-N |
| Molecular Weight | 268.675 g/mol |
| SMILES | C=1(Cl)N(N=C(C1C(OC)=O)C)C1=CC=C(C=C1)F |