| SpectraBase Compound ID | A1lb5sT5ros |
|---|---|
| InChI | InChI=1S/C11H11BrN.CHF3O3S/c1-2-13-7-9-5-3-4-6-10(9)11(12)8-13;2-1(3,4)8(5,6)7/h3-8H,2H2,1H3;(H,5,6,7)/q+1;/p-1 |
| InChIKey | UKJFIDIBJGPPCG-UHFFFAOYSA-M |
| Mol Weight | 386.18 g/mol |
| Molecular Formula | C12H11BrF3NO3S |
| Exact Mass | 384.959512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FuJJAP2Oub2 |
|---|---|
| Name | 4-BROMO-N-ETHYL-ISOQUINOLINIUM TRIFLUOROMETHANESULPHONATE |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C11H11BrN.CHF3O3S/c1-2-13-7-9-5-3-4-6-10(9)11(12)8-13;2-1(3,4)8(5,6)7/h3-8H,2H2,1H3;(H,5,6,7)/q+1;/p-1 |
| InChIKey | UKJFIDIBJGPPCG-UHFFFAOYSA-M |
| Literature Reference | W.WERRA,D.HEBER,U.HOLZGRABE MAGN.RES.CHEM.,30,640(1992) |
| Solvent | Dimethyl sulfoxide-d6 |