| SpectraBase Compound ID | 2RFQ5oLYncv |
|---|---|
| InChI | InChI=1S/C7H4F3NO5S/c8-7(9,10)17(14,15)16-6-3-1-2-5(4-6)11(12)13/h1-4H |
| InChIKey | XQZILBMIMCHLEG-UHFFFAOYSA-N |
| Mol Weight | 271.17 g/mol |
| Molecular Formula | C7H4F3NO5S |
| Exact Mass | 270.976228 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | SBUxH87bbE |
|---|---|
| Name | 3-Nitrophenyl trifluoromethanesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.976227891 u |
| Formula | C7H4F3NO5S |
| InChI | InChI=1S/C7H4F3NO5S/c8-7(9,10)17(14,15)16-6-3-1-2-5(4-6)11(12)13/h1-4H |
| InChIKey | XQZILBMIMCHLEG-UHFFFAOYSA-N |
| Molecular Weight | 271.166 g/mol |
| SMILES | C1(=CC(=CC=C1)OS(=O)(=O)C(F)(F)F)N(=O)=O |