| SpectraBase Spectrum ID |
7sHMXqOh59I |
| Name |
1H-Isoindole, 3-(ethylthio)-1-[3-(ethylthio)-1H-isoindol-1-ylidene]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.091140936 u |
| Formula |
C20H18N2S2 |
| InChI |
InChI=1S/C20H18N2S2/c1-3-23-19-15-11-7-5-9-13(15)17(21-19)18-14-10-6-8-12-16(14)20(22-18)24-4-2/h5-12H,3-4H2,1-2H3/b18-17+ |
| InChIKey |
JTUKKUGZHULRNJ-ISLYRVAYSA-N |
| Molecular Weight |
350.498 g/mol |
| SMILES |
C1(=N\C(=C\2N=C(SCC)C3=C2C=CC=C3)C2=C1C=CC=C2)SCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804472 |
![1H-Isoindole, 3-(ethylthio)-1-[3-(ethylthio)-1H-isoindol-1-ylidene]-](/api/spectrum/7sHMXqOh59I/structure.png?h=300&w=458 "1H-Isoindole, 3-(ethylthio)-1-[3-(ethylthio)-1H-isoindol-1-ylidene]-")
