![Propanoic acid, 3-[4-(methylsulfonyl)anilino]-](/api/spectrum/HkNpn2LsGHS/structure.png?h=300&w=458 "Propanoic acid, 3-[4-(methylsulfonyl)anilino]-")
| SpectraBase Compound ID | GEm05MvbiwZ |
|---|---|
| InChI | InChI=1S/C10H13NO4S/c1-16(14,15)9-4-2-8(3-5-9)11-7-6-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13) |
| InChIKey | VPLWOTVUJHNUBV-UHFFFAOYSA-N |
| Mol Weight | 243.28 g/mol |
| Molecular Formula | C10H13NO4S |
| Exact Mass | 243.056529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HkNpn2LsGHS |
|---|---|
| Name | Propanoic acid, 3-[4-(methylsulfonyl)anilino]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.056529073 u |
| Formula | C10H13NO4S |
| InChI | InChI=1S/C10H13NO4S/c1-16(14,15)9-4-2-8(3-5-9)11-7-6-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13) |
| InChIKey | VPLWOTVUJHNUBV-UHFFFAOYSA-N |
| Molecular Weight | 243.277 g/mol |
| SMILES | C1=CC(NCCC(O)=O)=CC=C1S(=O)(C)=O |