| SpectraBase Compound ID | 7WayUCF8fZY |
|---|---|
| InChI | InChI=1S/C12H16O5S/c1-4-16-12(13)10(3)17-18(14,15)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3 |
| InChIKey | SNLMUZGICZJWKN-UHFFFAOYSA-N |
| Mol Weight | 272.31 g/mol |
| Molecular Formula | C12H16O5S |
| Exact Mass | 272.071845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Z5kAne2RO3 |
|---|---|
| Name | 2-(Toluene-4-sulfonyloxy)propionic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.071844784 u |
| Formula | C12H16O5S |
| InChI | InChI=1S/C12H16O5S/c1-4-16-12(13)10(3)17-18(14,15)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3 |
| InChIKey | SNLMUZGICZJWKN-UHFFFAOYSA-N |
| SMILES | CC1=CC=C(S(=O)(OC(C(=O)OCC)C)=O)C=C1 |