| SpectraBase Spectrum ID |
7lh85PjUeQH |
| Name |
{bis[(p-Nitrophenethyl)thio]methylene}malononitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.061297355 u |
| Formula |
C20H16N4O4S2 |
| InChI |
InChI=1S/C20H16N4O4S2/c21-13-17(14-22)20(29-11-9-15-1-5-18(6-2-15)23(25)26)30-12-10-16-3-7-19(8-4-16)24(27)28/h1-8H,9-12H2 |
| InChIKey |
BWYQGKYTAFEMOU-UHFFFAOYSA-N |
| Molecular Weight |
440.492 g/mol |
| SMILES |
N(=O)(=O)C=1C=CC(CCSC(SCCC2=CC=C(C=C2)N(=O)=O)=C(C#N)C#N)=CC1 |
| Spectrum/Structure Validation Score (Raman) |
0.958154 |
![{bis[(p-Nitrophenethyl)thio]methylene}malononitrile](/api/spectrum/7lh85PjUeQH/structure.png?h=300&w=458 "{bis[(p-Nitrophenethyl)thio]methylene}malononitrile")
