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4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenyl propionate

View entire compound with spectra: 2 NMR

4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenyl propionate
SpectraBase Compound ID HRVRFHRBYt9
InChI InChI=1S/C15H14N2O5S/c1-3-12(18)22-10-5-4-8(7-11(10)21-2)6-9-13(19)16-15(23)17-14(9)20/h4-7H,3H2,1-2H3,(H2,16,17,19,20,23)
InChIKey OVQBSSNSPJHUNA-UHFFFAOYSA-N
Mol Weight 334.35 g/mol
Molecular Formula C15H14N2O5S
Exact Mass 334.062343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FVAdrkj9aPo
Name 4-[(4,6-Dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenyl propionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.062342728 u
Formula C15H14N2O5S
InChI InChI=1S/C15H14N2O5S/c1-3-12(18)22-10-5-4-8(7-11(10)21-2)6-9-13(19)16-15(23)17-14(9)20/h4-7H,3H2,1-2H3,(H2,16,17,19,20,23)
InChIKey OVQBSSNSPJHUNA-UHFFFAOYSA-N
SMILES N1C(NC(C(C1=O)=CC=1C=C(OC)C(=CC1)OC(=O)CC)=O)=S