SpectraBase Spectrum ID |
O31QLFzB0T |
Name |
bis{3',4'-Dimethoxy-2'-oxo-2',5'-dihydrobenzo[3,4-A]thiophenylidene] |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
416.038830577 u |
Formula |
C20H16O6S2 |
InChI |
InChI=1S/C20H16O6S2/c1-23-11-7-5-9-13(15(11)25-3)19(21)27-17(9)18-10-6-8-12(24-2)16(26-4)14(10)20(22)28-18/h5-8H,1-4H3/b18-17+ |
InChIKey |
WEUVNZKGJQLPSU-ISLYRVAYSA-N |
Molecular Weight |
416.462 g/mol |
SMILES |
C1(S\C(=C\2SC(=O)C3=C2C=CC(OC)=C3OC)C2=C1C(=C(C=C2)OC)OC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917445 |