![ETHYL-5-(PENTAFLUOROETHYL)-3-[4-(TRIFLUOROMETHYL)-PHENYL]-4-ISOXAZOLE-CARBOXYLATE](/api/spectrum/DhTp9fogYwH/structure.png?h=300&w=458 "ETHYL-5-(PENTAFLUOROETHYL)-3-[4-(TRIFLUOROMETHYL)-PHENYL]-4-ISOXAZOLE-CARBOXYLATE")
| SpectraBase Compound ID | LETcVRMrzZZ |
|---|---|
| InChI | InChI=1S/C15H9F8NO3/c1-2-26-12(25)9-10(7-3-5-8(6-4-7)14(18,19)20)24-27-11(9)13(16,17)15(21,22)23/h3-6H,2H2,1H3 |
| InChIKey | RXKNGGJWRAIJQF-UHFFFAOYSA-N |
| Mol Weight | 403.23 g/mol |
| Molecular Formula | C15H9F8NO3 |
| Exact Mass | 403.045468 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DhTp9fogYwH |
|---|---|
| Name | Ethyl 5-(pentafluoroethyl)-3-[(p-(trifluoromethyl)phenyl]-isoxazole-4-carboxylate |
| Alternate Name(s) | 5-(1,1,2,2,2-pentafluoroethyl)-3-[4-(trifluoromethyl)phenyl]-4-isoxazolecarboxylic acid ethyl ester 5-(1,1,2,2,2-pentafluoroethyl)-3-[4-(trifluoromethyl)phenyl]isoxazole-4-carboxylic acid ethyl ester Ethyl 5-(1,1,2,2,2-pentafluoroethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate Ethyl 5-(1,1,2,2,2-pentafluoroethyl)-3-[4-(trifluoromethyl)phenyl]isoxazole-4-carboxylate Ethyl 5-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H9F8NO3 |
| InChI | InChI=1S/C15H9F8NO3/c1-2-26-12(25)9-10(7-3-5-8(6-4-7)14(18,19)20)24-27-11(9)13(16,17)15(21,22)23/h3-6H,2H2,1H3 |
| InChIKey | RXKNGGJWRAIJQF-UHFFFAOYSA-N |
| Molecular Weight | 403.228 g/mol |
| SMILES | c1(noc(c1C(=O)OCC)C(C(F)(F)F)(F)F)-c1ccc(cc1)C(F)(F)F |
| SPLASH | splash10-0ik9-0293400000-ad3ddca3df44ad245ced |
| Source of Spectrum | Y-40-580-3 |
| Wiley ID | 1528934 |