| SpectraBase Spectrum ID |
J2pOnRUkQnw |
| Name |
1,5(1,6)-Pyracenedione bis(ethylenedithioacetal) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.013485211 u |
| Formula |
C18H16S4 |
| InChI |
InChI=1S/C18H16S4/c1-3-13-16-12(10-18(13)21-7-8-22-18)2-4-14-15(16)11(1)9-17(14)19-5-6-20-17/h1-4H,5-10H2 |
| InChIKey |
UPMURWOEJBVAHZ-UHFFFAOYSA-N |
| Molecular Weight |
360.566 g/mol |
| SMILES |
C12(C3=C4C=5C(C6(SCCS6)CC5C=C3)=CC=C4C1)SCCS2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945115 |
