| SpectraBase Spectrum ID |
QaL2rcd74F |
| Name |
Ethyl (E)-4,4-dimethoxy-2-tosylpent-2-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.113709596 u |
| Formula |
C16H22O6S |
| InChI |
InChI=1S/C16H22O6S/c1-6-22-15(17)14(11-16(3,20-4)21-5)23(18,19)13-9-7-12(2)8-10-13/h7-11H,6H2,1-5H3/b14-11+ |
| InChIKey |
VAOZKWQXTCJUHW-SDNWHVSQSA-N |
| Molecular Weight |
342.406 g/mol |
| SMILES |
C=1(S(\C(=C\C(OC)(OC)C)C(=O)OCC)(=O)=O)C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951545 |
