| SpectraBase Compound ID | 3VQehhjHqqf |
|---|---|
| InChI | InChI=1S/C17H11F6N3O3S/c1-7-12(13(29-25-7)14-8(2)24-26-30-14)6-28-15(27)9-3-10(16(18,19)20)5-11(4-9)17(21,22)23/h3-5H,6H2,1-2H3 |
| InChIKey | FOTRWCVLDZJVLU-UHFFFAOYSA-N |
| Mol Weight | 451.34 g/mol |
| Molecular Formula | C17H11F6N3O3S |
| Exact Mass | 451.042531 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2sNISkrhRmN |
|---|---|
| Name | 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolemethanol, 3,5-bis(trifluoromethyl)benzoate (ester) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H11F6N3O3S |
| InChI | InChI=1S/C17H11F6N3O3S/c1-7-12(13(29-25-7)14-8(2)24-26-30-14)6-28-15(27)9-3-10(16(18,19)20)5-11(4-9)17(21,22)23/h3-5H,6H2,1-2H3 |
| InChIKey | FOTRWCVLDZJVLU-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 61282M |
| Solvent | CDCl3 |