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Pyrimidine-4,6-dione, hexahydro-5-[2-(2-phenoxyethoxy)benzylidene]-2-thioxo-
SpectraBase Compound ID 1gpkqdIesP3
InChI InChI=1S/C19H16N2O4S/c22-17-15(18(23)21-19(26)20-17)12-13-6-4-5-9-16(13)25-11-10-24-14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H2,20,21,22,23,26)
InChIKey ZJUYJKMQXGLWCC-UHFFFAOYSA-N
Mol Weight 368.41 g/mol
Molecular Formula C19H16N2O4S
Exact Mass 368.083078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Z3aG9MaxW9
Name Pyrimidine-4,6-dione, hexahydro-5-[2-(2-phenoxyethoxy)benzylidene]-2-thioxo-
Comments Computed using HOSE algorithm
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Exact Mass 368.083078173 u
Formula C19H16N2O4S
InChI InChI=1S/C19H16N2O4S/c22-17-15(18(23)21-19(26)20-17)12-13-6-4-5-9-16(13)25-11-10-24-14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H2,20,21,22,23,26)
InChIKey ZJUYJKMQXGLWCC-UHFFFAOYSA-N
Molecular Weight 368.407 g/mol
SMILES C1(C(NC(NC1=O)=S)=O)=CC1=C(OCCOC2=CC=CC=C2)C=CC=C1