| SpectraBase Compound ID | FhpmLmgOCJx |
|---|---|
| InChI | InChI=1S/C12H11N2.CHF3O3S/c1-2-14-8-7-10-5-3-4-6-11(10)12(14)9-13;2-1(3,4)8(5,6)7/h3-8H,2H2,1H3;(H,5,6,7)/q+1;/p-1 |
| InChIKey | XYEPNDARXZFVMT-UHFFFAOYSA-M |
| Mol Weight | 332.3 g/mol |
| Molecular Formula | C13H11F3N2O3S |
| Exact Mass | 332.044248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KKcjSsEZppA |
|---|---|
| Name | 1-CYANO-N-ETHYL-ISOQUINOLINIUM TRIFLUOROMETHANESULPHONATE |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C12H11N2.CHF3O3S/c1-2-14-8-7-10-5-3-4-6-11(10)12(14)9-13;2-1(3,4)8(5,6)7/h3-8H,2H2,1H3;(H,5,6,7)/q+1;/p-1 |
| InChIKey | XYEPNDARXZFVMT-UHFFFAOYSA-M |
| Literature Reference | W.WERRA,D.HEBER,U.HOLZGRABE MAGN.RES.CHEM.,30,640(1992) |
| Solvent | Dimethyl sulfoxide-d6 |