| SpectraBase Compound ID | itaZwU2anf |
|---|---|
| InChI | InChI=1S/C12H17NO4S/c1-3-4-9-13(18(2,16)17)11-7-5-10(6-8-11)12(14)15/h5-8H,3-4,9H2,1-2H3,(H,14,15) |
| InChIKey | UYRWLFGADVRIGU-UHFFFAOYSA-N |
| Mol Weight | 271.33 g/mol |
| Molecular Formula | C12H17NO4S |
| Exact Mass | 271.087829 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JFZz1Di5inU |
|---|---|
| Name | Benzoic acid, 4-butyl(methylsulfonyl)amino- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.087829201 u |
| Formula | C12H17NO4S |
| InChI | InChI=1S/C12H17NO4S/c1-3-4-9-13(18(2,16)17)11-7-5-10(6-8-11)12(14)15/h5-8H,3-4,9H2,1-2H3,(H,14,15) |
| InChIKey | UYRWLFGADVRIGU-UHFFFAOYSA-N |
| Molecular Weight | 271.331 g/mol |
| SMILES | CCCCN(C=1C=CC(C(=O)O)=CC1)S(C)(=O)=O |