| SpectraBase Compound ID | 3HWlHjZvt54 |
|---|---|
| InChI | InChI=1S/C11H12O4S/c12-11(9-4-2-1-3-5-9)15-10-6-7-16(13,14)8-10/h1-5,10H,6-8H2 |
| InChIKey | RIBITSOGCGVWBJ-UHFFFAOYSA-N |
| Mol Weight | 240.27 g/mol |
| Molecular Formula | C11H12O4S |
| Exact Mass | 240.04563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMwwkgHeUYx |
|---|---|
| Name | 1,1-Dioxidotetrahydro-3-thienyl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.045630036 u |
| Formula | C11H12O4S |
| InChI | InChI=1S/C11H12O4S/c12-11(9-4-2-1-3-5-9)15-10-6-7-16(13,14)8-10/h1-5,10H,6-8H2 |
| InChIKey | RIBITSOGCGVWBJ-UHFFFAOYSA-N |
| Molecular Weight | 240.273 g/mol |
| SMILES | C1=CC=C(C(OC2CS(=O)(=O)CC2)=O)C=C1 |