| SpectraBase Compound ID | 3enQjEmSPUK |
|---|---|
| InChI | InChI=1S/C10H9F3O4S/c1-7-3-2-4-8(5-7)6-17-9(14)10(11,12)18(13,15)16/h2-5H,6H2,1H3 |
| InChIKey | RXNIVZFIXLGQLP-UHFFFAOYSA-N |
| Mol Weight | 282.23 g/mol |
| Molecular Formula | C10H9F3O4S |
| Exact Mass | 282.017364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2OOUmhiFN9v |
|---|---|
| Name | (3-Methylphenyl)methyl 2,2-bis(fluoranyl)-2-fluorosulfonyl-ethanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.017364429 u |
| Formula | C10H9F3O4S |
| InChI | InChI=1S/C10H9F3O4S/c1-7-3-2-4-8(5-7)6-17-9(14)10(11,12)18(13,15)16/h2-5H,6H2,1H3 |
| InChIKey | RXNIVZFIXLGQLP-UHFFFAOYSA-N |
| Molecular Weight | 282.233 g/mol |
| SMILES | C(C(F)(F)S(=O)(=O)F)(=O)OCC=1C=C(C=CC1)C |