| SpectraBase Spectrum ID |
5mnUxQjRh3W |
| Name |
Ethyl 4-((3-(styrylthio)propyl)thio)benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.106122294 u |
| Formula |
C20H22O2S2 |
| InChI |
InChI=1S/C20H22O2S2/c1-2-22-20(21)18-9-11-19(12-10-18)24-15-6-14-23-16-13-17-7-4-3-5-8-17/h3-5,7-13,16H,2,6,14-15H2,1H3/b16-13+ |
| InChIKey |
AYZFCVLTLUBEAS-DTQAZKPQSA-N |
| Molecular Weight |
358.514 g/mol |
| SMILES |
C=1C=C(\C=C\SCCCSC2=CC=C(C=C2)C(=O)OCC)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888114 |
