| SpectraBase Spectrum ID |
HGYfTMXthc7 |
| Name |
5,6-Dihydro-4H-3-thia-6A,11B-diaza-benzo[G]cyclopenta[E]azulene-1,7-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.061948806 u |
| Formula |
C14H12N2O2S |
| InChI |
InChI=1S/C14H12N2O2S/c17-12-8-19-14-11-6-3-7-15(11)13(18)9-4-1-2-5-10(9)16(12)14/h1-2,4-5H,3,6-8H2 |
| InChIKey |
DSRZSXPGLBJFSH-UHFFFAOYSA-N |
| SMILES |
C=12N(C=3C(=CC=CC3)C(N3C1CCC3)=O)C(=O)CS2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907689 |
![5,6-Dihydro-4H-3-thia-6a,11b-diaza-benzo[g]cyclopenta[e]azulene-1,7-dione](/api/spectrum/HGYfTMXthc7/structure.png?h=300&w=458 "5,6-Dihydro-4H-3-thia-6a,11b-diaza-benzo[g]cyclopenta[e]azulene-1,7-dione")
