| SpectraBase Spectrum ID |
3b29gowcSmg |
| Name |
Ethyl 3-mesityl-2-tosylpropenoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858144 |
