| SpectraBase Spectrum ID |
EKOY7cRbWAp |
| Name |
bis[3-Cyano-4-nitrophenyl]sulfide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.010975859 u |
| Formula |
C14H6N4O4S |
| InChI |
InChI=1S/C14H6N4O4S/c15-7-9-5-11(1-3-13(9)17(19)20)23-12-2-4-14(18(21)22)10(6-12)8-16/h1-6H |
| InChIKey |
FZDGTBGXJXTPSS-UHFFFAOYSA-N |
| Molecular Weight |
326.286 g/mol |
| SMILES |
C1=C(SC2=CC(=C(C=C2)N(=O)=O)C#N)C=CC(=C1C#N)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815698 |
![bis[3-Cyano-4-nitrophenyl]sulfide](/api/spectrum/EKOY7cRbWAp/structure.png?h=300&w=458 "bis[3-Cyano-4-nitrophenyl]sulfide")
