| SpectraBase Spectrum ID |
6Cq0NTNq4bl |
| Name |
2-(6-Ketobenzo[B]thianthren-11-ylidene)malononitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.007805233 u |
| Formula |
C19H8N2OS2 |
| InChI |
InChI=1S/C19H8N2OS2/c20-9-11(10-21)16-12-5-1-2-6-13(12)17(22)19-18(16)23-14-7-3-4-8-15(14)24-19/h1-8H |
| InChIKey |
BBCOBQCXEOCBNN-UHFFFAOYSA-N |
| Molecular Weight |
344.406 g/mol |
| SMILES |
C12=C(C(=C(C#N)C#N)C3=C(C2=O)C=CC=C3)SC=2C(S1)=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910131 |
![2-(6-Ketobenzo[B]thianthren-11-ylidene)malononitrile](/api/spectrum/6Cq0NTNq4bl/structure.png?h=300&w=458 "2-(6-Ketobenzo[B]thianthren-11-ylidene)malononitrile")
