| SpectraBase Compound ID | 1JbxCp6H7lB |
|---|---|
| InChI | InChI=1S/C14H10F3NO2/c15-14(16,17)12(10-5-2-1-3-6-10)20-13(19)11-7-4-8-18-9-11/h1-9,12H |
| InChIKey | QFDFJIVCXAKOOT-UHFFFAOYSA-N |
| Mol Weight | 281.23 g/mol |
| Molecular Formula | C14H10F3NO2 |
| Exact Mass | 281.066363 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4rQef5VyA91 |
|---|---|
| Name | Nicotinic acid, 1-phenyl-2,2,2-trifluoroethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H10F3NO2 |
| InChI | InChI=1S/C14H10F3NO2/c15-14(16,17)12(10-5-2-1-3-6-10)20-13(19)11-7-4-8-18-9-11/h1-9,12H |
| InChIKey | QFDFJIVCXAKOOT-UHFFFAOYSA-N |
| Molecular Weight | 281.234 g/mol |
| SMILES | c1c(cncc1)C(OC(C(F)(F)F)c1ccccc1)=O |
| SPLASH | splash10-0a4i-3910000000-f0a9789dfe38c9aa6552 |
| Source of Spectrum | TIPS-2023-16-0 |
| Wiley ID | 1884724 |