| SpectraBase Compound ID | FKHjgdkLEMc |
|---|---|
| InChI | InChI=1S/C7H5F2NO5S/c8-7(9)15-16(13,14)6-3-1-2-5(4-6)10(11)12/h1-4,7H |
| InChIKey | YTWJPPZZYMLXTG-UHFFFAOYSA-N |
| Mol Weight | 253.18 g/mol |
| Molecular Formula | C7H5F2NO5S |
| Exact Mass | 252.98565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5g8p3h66b31 |
|---|---|
| Name | 3-Nitrobenzenesulfonic acid difluoromethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.985649760 u |
| Formula | C7H5F2NO5S |
| InChI | InChI=1S/C7H5F2NO5S/c8-7(9)15-16(13,14)6-3-1-2-5(4-6)10(11)12/h1-4,7H |
| InChIKey | YTWJPPZZYMLXTG-UHFFFAOYSA-N |
| Molecular Weight | 253.176 g/mol |
| SMILES | C(OS(C=1C=C(N(=O)=O)C=CC1)(=O)=O)(F)F |