| SpectraBase Compound ID | 46np4fSEPtI |
|---|---|
| InChI | InChI=1S/C11H9N2O.CHF3O3S/c1-14-13-7-9-4-2-3-5-11(9)10(6-12)8-13;2-1(3,4)8(5,6)7/h2-5,7-8H,1H3;(H,5,6,7)/q+1;/p-1 |
| InChIKey | QJCYOXLBKYJVFW-UHFFFAOYSA-M |
| Mol Weight | 334.27 g/mol |
| Molecular Formula | C12H9F3N2O4S |
| Exact Mass | 334.023512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KqJ6MmEPqEi |
|---|---|
| Name | 4-CYANO-N-METHOXY-ISOQUINOLINIUM TRIFLUOROMETHANESULPHONATE |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C11H9N2O.CHF3O3S/c1-14-13-7-9-4-2-3-5-11(9)10(6-12)8-13;2-1(3,4)8(5,6)7/h2-5,7-8H,1H3;(H,5,6,7)/q+1;/p-1 |
| InChIKey | QJCYOXLBKYJVFW-UHFFFAOYSA-M |
| Literature Reference | W.WERRA,D.HEBER,U.HOLZGRABE MAGN.RES.CHEM.,30,640(1992) |
| Solvent | Dimethyl sulfoxide-d6 |