![butanoic acid, 2-[[(4-fluorophenyl)sulfonyl]amino]-3-methyl-, (2S)-](/api/spectrum/HSXf2O9wROH/structure.png?h=300&w=458 "butanoic acid, 2-[[(4-fluorophenyl)sulfonyl]amino]-3-methyl-, (2S)-")
| SpectraBase Compound ID | H7KQ685Rmhw |
|---|---|
| InChI | InChI=1S/C11H14FNO4S/c1-7(2)10(11(14)15)13-18(16,17)9-5-3-8(12)4-6-9/h3-7,10,13H,1-2H3,(H,14,15) |
| InChIKey | VNRQLAGSSZUTTO-UHFFFAOYSA-N |
| Mol Weight | 275.29 g/mol |
| Molecular Formula | C11H14FNO4S |
| Exact Mass | 275.062757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HSXf2O9wROH |
|---|---|
| Name | Butanoic acid, 2-[[(4-fluorophenyl)sulfonyl]amino]-3-methyl-, (2S)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.062757268 u |
| Formula | C11H14FNO4S |
| InChI | InChI=1S/C11H14FNO4S/c1-7(2)10(11(14)15)13-18(16,17)9-5-3-8(12)4-6-9/h3-7,10,13H,1-2H3,(H,14,15) |
| InChIKey | VNRQLAGSSZUTTO-UHFFFAOYSA-N |
| Molecular Weight | 275.294 g/mol |
| SMILES | N(S(C=1C=CC(=CC1)F)(=O)=O)C(C(=O)O)C(C)C |