| SpectraBase Compound ID | 5WQJi3CcA1l |
|---|---|
| InChI | InChI=1S/C11H14O4S/c1-2-15-11(12)8-9-16(13,14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 |
| InChIKey | NPNHCYWSZYRMEL-UHFFFAOYSA-N |
| Mol Weight | 242.29 g/mol |
| Molecular Formula | C11H14O4S |
| Exact Mass | 242.06128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LrcsJ9BH3Mm |
|---|---|
| Name | 3-(Benzenesulfonyl)propanoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.061280101 u |
| Formula | C11H14O4S |
| InChI | InChI=1S/C11H14O4S/c1-2-15-11(12)8-9-16(13,14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 |
| InChIKey | NPNHCYWSZYRMEL-UHFFFAOYSA-N |
| Molecular Weight | 242.289 g/mol |
| SMILES | C(S(=O)(=O)C1=CC=CC=C1)CC(=O)OCC |