| SpectraBase Compound ID | 4bOLsM74RoL |
|---|---|
| InChI | InChI=1S/C21H24O4S/c1-6-25-21(22)20(13-19-16(4)11-15(3)12-17(19)5)26(23,24)18-9-7-14(2)8-10-18/h7-13H,6H2,1-5H3/b20-13- |
| InChIKey | JNHZDTQMDIVXSN-MOSHPQCFSA-N |
| Mol Weight | 372.48 g/mol |
| Molecular Formula | C21H24O4S |
| Exact Mass | 372.13953 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AUU3wpK7GtJ |
|---|---|
| Name | Ethyl 3-mesityl-2-tosylpropenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.139530423 u |
| Formula | C21H24O4S |
| InChI | InChI=1S/C21H24O4S/c1-6-25-21(22)20(13-19-16(4)11-15(3)12-17(19)5)26(23,24)18-9-7-14(2)8-10-18/h7-13H,6H2,1-5H3/b20-13- |
| InChIKey | JNHZDTQMDIVXSN-MOSHPQCFSA-N |
| Molecular Weight | 372.479 g/mol |
| SMILES | C(\C(=C\C=1C(C)=CC(C)=CC1C)S(=O)(=O)C=1C=CC(C)=CC1)(=O)OCC |