| SpectraBase Spectrum ID |
5AXbdhqYETX |
| Name |
3-(8,14-Dithiabenzo-15-crown-5)prop-2-en-1-al |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.095951532 u |
| Formula |
C17H22O4S2 |
| InChI |
InChI=1S/C17H22O4S2/c18-5-1-2-15-3-4-16-17(14-15)21-9-13-23-11-7-19-6-10-22-12-8-20-16/h1-5,14H,6-13H2/b2-1+ |
| InChIKey |
FDSCYTLZSDZWSL-OWOJBTEDSA-N |
| Molecular Weight |
354.479 g/mol |
| SMILES |
C12=C(OCCSCCOCCSCCO2)C=CC(\C=C\C=O)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905573 |
