| SpectraBase Spectrum ID |
2S8gERrjlYC |
| Name |
(E)-Thiocarbonic acid-o-ethyl-S-styryl-diester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.055800798 u |
| Formula |
C11H12O2S |
| InChI |
InChI=1S/C11H12O2S/c1-2-13-11(12)14-9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+ |
| InChIKey |
MHBHVDGCJYNLRT-CMDGGOBGSA-N |
| Molecular Weight |
208.275 g/mol |
| SMILES |
C1(\C=C\SC(=O)OCC)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975299 |
