| SpectraBase Compound ID | J04ZbkSVvBj |
|---|---|
| InChI | InChI=1S/C11H8F7NOS/c1-21-7-4-2-3-6(5-7)19-8(20)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3,(H,19,20) |
| InChIKey | IHENSTWENJESEI-UHFFFAOYSA-N |
| Mol Weight | 335.24 g/mol |
| Molecular Formula | C11H8F7NOS |
| Exact Mass | 335.021482 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KoWmEBEf2sG |
|---|---|
| Name | 2,2,3,3,4,4,4-Heptafluoro-N-(3-(methylthio)phenyl)butanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.021482196 u |
| Formula | C11H8F7NOS |
| InChI | InChI=1S/C11H8F7NOS/c1-21-7-4-2-3-6(5-7)19-8(20)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3,(H,19,20) |
| InChIKey | IHENSTWENJESEI-UHFFFAOYSA-N |
| Molecular Weight | 335.240 g/mol |
| SMILES | C(NC1=CC(SC)=CC=C1)(C(C(F)(F)C(F)(F)F)(F)F)=O |