SpectraBase Spectrum ID |
8bzwxlT2ScI |
Name |
2,2'-(1,3-Dithietane-2,4-diylidene)bis[2-phenylacetophenone] |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
476.090472230 u |
Formula |
C30H20O2S2 |
InChI |
InChI=1S/C30H20O2S2/c31-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)29-33-30(34-29)26(22-15-7-2-8-16-22)28(32)24-19-11-4-12-20-24/h1-20H |
InChIKey |
ZMLRFVBKPIOJKY-UHFFFAOYSA-N |
Molecular Weight |
476.608 g/mol |
SMILES |
C=1C=CC=CC1C(=O)C(C=1C=CC=CC1)=C1SC(S1)=C(C=1C=CC=CC1)C(C1=CC=CC=C1)=O |
Spectrum/Structure Validation Score (Raman) |
0.975491 |