| SpectraBase Compound ID | 9bF1pgNMs1c |
|---|---|
| InChI | InChI=1S/C10H8BrN2O3.CHF3O3S/c1-16-12-5-7-3-2-4-9(13(14)15)10(7)8(11)6-12;2-1(3,4)8(5,6)7/h2-6H,1H3;(H,5,6,7)/q+1;/p-1 |
| InChIKey | FHURXRPFGOJAMS-UHFFFAOYSA-M |
| Mol Weight | 433.15 g/mol |
| Molecular Formula | C11H8BrF3N2O6S |
| Exact Mass | 431.923855 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A0ukP7yOpzc |
|---|---|
| Name | 4-BROMO,5-NITRO-N-METHOXY-ISOQUINOLINIUM TRIFLUOROMETHANESULPHONATE |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C10H8BrN2O3.CHF3O3S/c1-16-12-5-7-3-2-4-9(13(14)15)10(7)8(11)6-12;2-1(3,4)8(5,6)7/h2-6H,1H3;(H,5,6,7)/q+1;/p-1 |
| InChIKey | FHURXRPFGOJAMS-UHFFFAOYSA-M |
| Literature Reference | W.WERRA,D.HEBER,U.HOLZGRABE MAGN.RES.CHEM.,30,640(1992) |
| Solvent | Dimethyl sulfoxide-d6 |