| SpectraBase Compound ID | HJuM4newX1f |
|---|---|
| InChI | InChI=1S/C6H6.2CHF3O3S.2Cu/c1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;;/h1-6H;2*(H,5,6,7);;/q;;;2*+1/p-2 |
| InChIKey | GNXZWVVAAMVOJY-UHFFFAOYSA-L |
| Mol Weight | 503.33 g/mol |
| Molecular Formula | C8H6Cu2F6O6S2 |
| Exact Mass | 501.810193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CT2e045pgOv |
|---|---|
| Name | Copper(I) trifluoromethanesulfonate benzene complex |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 501.810193233 u |
| Formula | C8H6Cu2F6O6S2 |
| InChI | InChI=1S/C6H6.2CHF3O3S.2Cu/c1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;;/h1-6H;2*(H,5,6,7);;/q;;;2*+1/p-2 |
| InChIKey | GNXZWVVAAMVOJY-UHFFFAOYSA-L |
| Molecular Weight | 503.333 g/mol |
| SMILES | C=1C=CC=CC1.C(S(O[Cu])(=O)=O)(F)(F)F.C(S(O[Cu])(=O)=O)(F)(F)F |