| SpectraBase Spectrum ID |
7YY8viIKMU7 |
| Name |
(E)-Thiocarbonic acid-o-ethyl-S-[2-(p-tolyl)ethenyl]-diester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.071450863 u |
| Formula |
C12H14O2S |
| InChI |
InChI=1S/C12H14O2S/c1-3-14-12(13)15-9-8-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3/b9-8+ |
| InChIKey |
BULDIWBQTSEUDF-CMDGGOBGSA-N |
| Molecular Weight |
222.302 g/mol |
| SMILES |
C1(\C=C\SC(=O)OCC)=CC=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871534 |
![(E)-Thiocarbonic acid-o-ethyl-S-[2-(p-tolyl)ethenyl]-diester](/api/spectrum/7YY8viIKMU7/structure.png?h=300&w=458 "(E)-Thiocarbonic acid-o-ethyl-S-[2-(p-tolyl)ethenyl]-diester")
