![Hexanoic acid, 6-[[(4-fluorophenyl)sulfonyl]amino]-](/api/spectrum/6TQowg0kEPw/structure.png?h=300&w=458 "Hexanoic acid, 6-[[(4-fluorophenyl)sulfonyl]amino]-")
| SpectraBase Compound ID | AmgnEAdQ4Ou |
|---|---|
| InChI | InChI=1S/C12H16FNO4S/c13-10-5-7-11(8-6-10)19(17,18)14-9-3-1-2-4-12(15)16/h5-8,14H,1-4,9H2,(H,15,16) |
| InChIKey | LSBGTGFJRBVVEX-UHFFFAOYSA-N |
| Mol Weight | 289.32 g/mol |
| Molecular Formula | C12H16FNO4S |
| Exact Mass | 289.078407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6TQowg0kEPw |
|---|---|
| Name | Hexanoic acid, 6-[[(4-fluorophenyl)sulfonyl]amino]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.078407332 u |
| Formula | C12H16FNO4S |
| InChI | InChI=1S/C12H16FNO4S/c13-10-5-7-11(8-6-10)19(17,18)14-9-3-1-2-4-12(15)16/h5-8,14H,1-4,9H2,(H,15,16) |
| InChIKey | LSBGTGFJRBVVEX-UHFFFAOYSA-N |
| Molecular Weight | 289.321 g/mol |
| SMILES | OC(CCCCCNS(C=1C=CC(=CC1)F)(=O)=O)=O |