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5-[(2E)-3-(5-methyl-2-furyl)-2-propenylidene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

View entire compound with spectra: 2 NMR

5-[(2E)-3-(5-methyl-2-furyl)-2-propenylidene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 4sKzMMSAnga
InChI InChI=1S/C12H10N2O3S/c1-7-5-6-8(17-7)3-2-4-9-10(15)13-12(18)14-11(9)16/h2-6H,1H3,(H2,13,14,15,16,18)/b3-2+
InChIKey MPKSTSCLNNZZJI-NSCUHMNNSA-N
Mol Weight 262.28 g/mol
Molecular Formula C12H10N2O3S
Exact Mass 262.041213 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 60IuFO1rDXy
Name 5-[(2E)-3-(5-Methyl-2-furyl)-2-propenylidene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Comments Computed using HOSE algorithm
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Exact Mass 262.041213361 u
Formula C12H10N2O3S
InChI InChI=1S/C12H10N2O3S/c1-7-5-6-8(17-7)3-2-4-9-10(15)13-12(18)14-11(9)16/h2-6H,1H3,(H2,13,14,15,16,18)/b3-2+
InChIKey MPKSTSCLNNZZJI-NSCUHMNNSA-N
Molecular Weight 262.283 g/mol
SMILES N1C(NC(C(C1=O)=C\C=C\C=1OC(C)=CC1)=O)=S