| SpectraBase Compound ID | ZznUQhMq4a |
|---|---|
| InChI | InChI=1S/C11H10BrN2O2.CHF3O3S/c1-2-13-6-8-4-3-5-10(14(15)16)11(8)9(12)7-13;2-1(3,4)8(5,6)7/h3-7H,2H2,1H3;(H,5,6,7)/q+1;/p-1 |
| InChIKey | JEFHSMHSDXIELQ-UHFFFAOYSA-M |
| Mol Weight | 431.18 g/mol |
| Molecular Formula | C12H10BrF3N2O5S |
| Exact Mass | 429.94459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lnhq6dJrbJY |
|---|---|
| Name | 4-BROMO,5-NITRO-N-ETHYL-ISOQUINOLINIUM TRIFLUOROMETHANESULPHONATE |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C11H10BrN2O2.CHF3O3S/c1-2-13-6-8-4-3-5-10(14(15)16)11(8)9(12)7-13;2-1(3,4)8(5,6)7/h3-7H,2H2,1H3;(H,5,6,7)/q+1;/p-1 |
| InChIKey | JEFHSMHSDXIELQ-UHFFFAOYSA-M |
| Literature Reference | MAGN.RES.CHEM.,30,640(1992) W.WERRA,D.HEBER,U.HOLZGRABE |
| Solvent | Dimethyl sulfoxide-d6 |