| SpectraBase Compound ID | 80CUKoqSZ1W |
|---|---|
| InChI | InChI=1S/C11H7F5O3S/c1-20-7-4-2-3-6(5-7)8(17)19-9(18)10(12,13)11(14,15)16/h2-5H,1H3 |
| InChIKey | SFNMEMNXJNOKLW-UHFFFAOYSA-N |
| Mol Weight | 314.23 g/mol |
| Molecular Formula | C11H7F5O3S |
| Exact Mass | 314.003606 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DwvdWUQiiJx |
|---|---|
| Name | 3-(Methylthio)benzoic pentafluoropropionic anhydride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.003606071 u |
| Formula | C11H7F5O3S |
| InChI | InChI=1S/C11H7F5O3S/c1-20-7-4-2-3-6(5-7)8(17)19-9(18)10(12,13)11(14,15)16/h2-5H,1H3 |
| InChIKey | SFNMEMNXJNOKLW-UHFFFAOYSA-N |
| Molecular Weight | 314.226 g/mol |
| SMILES | C1=C(C=CC=C1C(OC(C(C(F)(F)F)(F)F)=O)=O)SC |