| SpectraBase Compound ID | KhHxrRh89TR |
|---|---|
| InChI | InChI=1S/C11H5F7N2OS/c12-9(13,10(14,15)11(16,17)18)7(21)20-8-19-5-3-1-2-4-6(5)22-8/h1-4H,(H,19,20,21) |
| InChIKey | ODWFXLFCDKPTHY-UHFFFAOYSA-N |
| Mol Weight | 346.22 g/mol |
| Molecular Formula | C11H5F7N2OS |
| Exact Mass | 346.001081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8v6VYn3rJGl |
|---|---|
| Name | Butanamide, 2,2,3,3,4,4,5-heptafluoro-N-(2-benzothiazolyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.001081103 u |
| Formula | C11H5F7N2OS |
| InChI | InChI=1S/C11H5F7N2OS/c12-9(13,10(14,15)11(16,17)18)7(21)20-8-19-5-3-1-2-4-6(5)22-8/h1-4H,(H,19,20,21) |
| InChIKey | ODWFXLFCDKPTHY-UHFFFAOYSA-N |
| Molecular Weight | 346.223 g/mol |
| SMILES | C(C(C(F)(F)F)(F)F)(C(NC1=NC=2C=CC=CC2S1)=O)(F)F |