SpectraBase Spectrum ID |
7tTU188a1np |
Name |
5-Piperonylidene-2-thio-2,4-oxazolidinedione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
249.009578879 u |
Formula |
C11H7NO4S |
InChI |
InChI=1S/C11H7NO4S/c13-10-9(16-11(17)12-10)4-6-1-2-7-8(3-6)15-5-14-7/h1-4H,5H2,(H,12,13,17)/b9-4+ |
InChIKey |
DFFPBCGZNPJKGW-RUDMXATFSA-N |
Molecular Weight |
249.240 g/mol |
SMILES |
C1(\C=C\2OC(=S)NC2=O)=CC2=C(OCO2)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935654 |