![2-[4-(Trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, methyl ester](/api/spectrum/L1IgsoVFgA1/structure.png?h=300&w=458 "2-[4-(Trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, methyl ester")
| SpectraBase Compound ID | 3spyXAjlBt7 |
|---|---|
| InChI | InChI=1S/C12H8F3NO2S/c1-18-11(17)9-6-16-10(19-9)7-2-4-8(5-3-7)12(13,14)15/h2-6H,1H3 |
| InChIKey | JCDZHWIRUWOGTO-UHFFFAOYSA-N |
| Mol Weight | 287.26 g/mol |
| Molecular Formula | C12H8F3NO2S |
| Exact Mass | 287.022784 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L1IgsoVFgA1 |
|---|---|
| Name | 2-[4-(Trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.022784163 u |
| Formula | C12H8F3NO2S |
| InChI | InChI=1S/C12H8F3NO2S/c1-18-11(17)9-6-16-10(19-9)7-2-4-8(5-3-7)12(13,14)15/h2-6H,1H3 |
| InChIKey | JCDZHWIRUWOGTO-UHFFFAOYSA-N |
| Molecular Weight | 287.256 g/mol |
| SMILES | C(OC)(=O)C=1SC(C2=CC=C(C=C2)C(F)(F)F)=NC1 |