| SpectraBase Spectrum ID |
CNN6zv9PJZg |
| Name |
8-Sulfanyl-3,9-diazatricyclo[8.4.0.0{3,7}]tetradeca-1(10),8,11,13-tetraene-2-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.044190742 u |
| Formula |
C12H12N2S2 |
| InChI |
InChI=1S/C12H12N2S2/c15-11-10-6-3-7-14(10)12(16)8-4-1-2-5-9(8)13-11/h1-2,4-5,10H,3,6-7H2,(H,13,15) |
| InChIKey |
WPLYKAWSVTWDRU-UHFFFAOYSA-N |
| Molecular Weight |
248.362 g/mol |
| SMILES |
C1=CC=C2C(=C1)N=C(S)C1N(C2=S)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880892 |
![8-Sulfanyl-3,9-diazatricyclo[8.4.0.0{3,7}]tetradeca-1(10),8,11,13-tetraene-2-thione](/api/spectrum/CNN6zv9PJZg/structure.png?h=300&w=458 "8-Sulfanyl-3,9-diazatricyclo[8.4.0.0{3,7}]tetradeca-1(10),8,11,13-tetraene-2-thione")
