| SpectraBase Spectrum ID |
16mTcAwudbl |
| Name |
(E)-2-Ethylthio-1-propoxy-1-(p-toluenesulfonyl)ethene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.085386849 u |
| Formula |
C14H20O3S2 |
| InChI |
InChI=1S/C14H20O3S2/c1-4-10-17-14(11-18-5-2)19(15,16)13-8-6-12(3)7-9-13/h6-9,11H,4-5,10H2,1-3H3/b14-11+ |
| InChIKey |
XNUQYYSUVOMCEN-SDNWHVSQSA-N |
| Molecular Weight |
300.431 g/mol |
| SMILES |
C(S\C=C\(S(C1=CC=C(C=C1)C)(=O)=O)OCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854693 |
