![Methyl 2-{[(4-fluorophenyl)sulfonyl]amino}benzoate](/api/spectrum/DYZaspINBBq/structure.png?h=300&w=458 "Methyl 2-{[(4-fluorophenyl)sulfonyl]amino}benzoate")
| SpectraBase Compound ID | 5USu2H79PmD |
|---|---|
| InChI | InChI=1S/C14H12FNO4S/c1-20-14(17)12-4-2-3-5-13(12)16-21(18,19)11-8-6-10(15)7-9-11/h2-9,16H,1H3 |
| InChIKey | CMVNYAUIZZBWCZ-UHFFFAOYSA-N |
| Mol Weight | 309.31 g/mol |
| Molecular Formula | C14H12FNO4S |
| Exact Mass | 309.047107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYZaspINBBq |
|---|---|
| Name | Methyl 2-{[(4-fluorophenyl)sulfonyl]amino}benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.047107203 u |
| Formula | C14H12FNO4S |
| InChI | InChI=1S/C14H12FNO4S/c1-20-14(17)12-4-2-3-5-13(12)16-21(18,19)11-8-6-10(15)7-9-11/h2-9,16H,1H3 |
| InChIKey | CMVNYAUIZZBWCZ-UHFFFAOYSA-N |
| Molecular Weight | 309.311 g/mol |
| SMILES | N(S(C=1C=CC(F)=CC1)(=O)=O)C=1C(C(=O)OC)=CC=CC1 |