| SpectraBase Compound ID | H9n9EsjFoHG |
|---|---|
| InChI | InChI=1S/C13H7F4NO2/c14-11-9(13(15,16)17)4-1-5-10(11)20-12(19)8-3-2-6-18-7-8/h1-7H |
| InChIKey | JPGYAMKBDBHRQX-UHFFFAOYSA-N |
| Mol Weight | 285.2 g/mol |
| Molecular Formula | C13H7F4NO2 |
| Exact Mass | 285.041291 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1XMVwvNSAlN |
|---|---|
| Name | Nicotinic acid, 2-fluoro-3-trifluoromethylphenyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H7F4NO2 |
| InChI | InChI=1S/C13H7F4NO2/c14-11-9(13(15,16)17)4-1-5-10(11)20-12(19)8-3-2-6-18-7-8/h1-7H |
| InChIKey | JPGYAMKBDBHRQX-UHFFFAOYSA-N |
| Molecular Weight | 285.198 g/mol |
| SMILES | c1c(cncc1)C(Oc1c(c(ccc1)C(F)(F)F)F)=O |
| SPLASH | splash10-0a4i-6900000000-9b36e124c744b85da686 |
| Source of Spectrum | TIPS-2023-17-0 |
| Wiley ID | 1884725 |