![2-Propenoic acid, 3-[[(4-methylphenyl)sulfinyl]oxy]-, ethyl ester, (E)-](/api/spectrum/G8iht2wgkdr/structure.png?h=300&w=458 "2-Propenoic acid, 3-[[(4-methylphenyl)sulfinyl]oxy]-, ethyl ester, (E)-")
| SpectraBase Compound ID | 3XE9HaEt79H |
|---|---|
| InChI | InChI=1S/C12H14O4S/c1-3-15-12(13)8-9-16-17(14)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3/b9-8+ |
| InChIKey | ZKABAGQACMCZSI-CMDGGOBGSA-N |
| Mol Weight | 254.3 g/mol |
| Molecular Formula | C12H14O4S |
| Exact Mass | 254.06128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G8iht2wgkdr |
|---|---|
| Name | 2-Propenoic acid, 3-[[(4-methylphenyl)sulfinyl]oxy]-, ethyl ester, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.061280101 u |
| Formula | C12H14O4S |
| InChI | InChI=1S/C12H14O4S/c1-3-15-12(13)8-9-16-17(14)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3/b9-8+ |
| InChIKey | ZKABAGQACMCZSI-CMDGGOBGSA-N |
| Molecular Weight | 254.300 g/mol |
| SMILES | C=1(S(=O)O\C=C\C(=O)OCC)C=CC(=CC1)C |