SpectraBase Spectrum ID |
FfD2fFlULc8 |
Name |
Dimethyl 2,2'-(2-thioxo-1,2-dihydropyrimidine-4,6-diyl)diacetate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
256.051778044 u |
Formula |
C10H12N2O4S |
InChI |
InChI=1S/C10H12N2O4S/c1-15-8(13)4-6-3-7(5-9(14)16-2)12-10(17)11-6/h3H,4-5H2,1-2H3,(H,11,12,17) |
InChIKey |
XIUAXTXNCXHOCZ-UHFFFAOYSA-N |
Molecular Weight |
256.276 g/mol |
SMILES |
C1(N=C(C=C(N1)CC(=O)OC)CC(=O)OC)=S |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907704 |