| SpectraBase Spectrum ID |
1idNK2wGEKI |
| Name |
2,2',4,4'-Tetracyanomethyleneoxydiphenyl sulfide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.073576117 u |
| Formula |
C20H14N4O4S |
| InChI |
InChI=1S/C20H14N4O4S/c21-5-9-25-15-1-3-19(17(13-15)27-11-7-23)29-20-4-2-16(26-10-6-22)14-18(20)28-12-8-24/h1-4,13-14H,9-12H2 |
| InChIKey |
RZJIVQUHJXWEJB-UHFFFAOYSA-N |
| Molecular Weight |
406.416 g/mol |
| SMILES |
C1(SC=2C(=CC(OCC#N)=CC2)OCC#N)=C(C=C(C=C1)OCC#N)OCC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914886 |
