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Dimethyl 2,2'-(2-thioxo-1,2-dihydropyrimidine-4,6-diyl)diacetate
SpectraBase Compound ID 2bGLNN9ZDsW
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
Mol Weight 256.28 g/mol
Molecular Formula C10H12N2O4S
Exact Mass 256.051778 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FfD2fFlULc8
Name Dimethyl 2,2'-(2-thioxo-1,2-dihydropyrimidine-4,6-diyl)diacetate
Comments Computed using SmartSpectra Model v1.42
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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