| SpectraBase Spectrum ID |
41CkTpNRBy3 |
| Name |
3-{[(N-(aminocarbonyl)amino]methylene]-thiochroman-2,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.025563297 u |
| Formula |
C11H8N2O3S |
| InChI |
InChI=1S/C11H8N2O3S/c12-11(16)13-5-7-9(14)6-3-1-2-4-8(6)17-10(7)15/h1-5H,(H3,12,13,16)/b7-5- |
| InChIKey |
NRMBCMFMTOYQFK-ALCCZGGFSA-N |
| Molecular Weight |
248.256 g/mol |
| SMILES |
C1(\C(C(C=2C(S1)=CC=CC2)=O)=C/NC(=O)N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933959 |
![3-{[(N-(aminocarbonyl)amino]methylene]-thiochroman-2,4-dione](/api/spectrum/41CkTpNRBy3/structure.png?h=300&w=458 "3-{[(N-(aminocarbonyl)amino]methylene]-thiochroman-2,4-dione")
