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Ethyl 6-methyl-4-(2-propoxyphenyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

View entire compound with spectra: 2 NMR

Ethyl 6-methyl-4-(2-propoxyphenyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID RtSRQJQobG
InChI InChI=1S/C17H22N2O3S/c1-4-10-22-13-9-7-6-8-12(13)15-14(16(20)21-5-2)11(3)18-17(23)19-15/h6-9,15H,4-5,10H2,1-3H3,(H2,18,19,23)
InChIKey KSLYGOVGBNCNFM-UHFFFAOYSA-N
Mol Weight 334.43 g/mol
Molecular Formula C17H22N2O3S
Exact Mass 334.135114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMJ19fVqEvF
Name Ethyl 6-methyl-4-(2-propoxyphenyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 334.135113747 u
Formula C17H22N2O3S
InChI InChI=1S/C17H22N2O3S/c1-4-10-22-13-9-7-6-8-12(13)15-14(16(20)21-5-2)11(3)18-17(23)19-15/h6-9,15H,4-5,10H2,1-3H3,(H2,18,19,23)
InChIKey KSLYGOVGBNCNFM-UHFFFAOYSA-N
Molecular Weight 334.434 g/mol
SMILES N1C(NC(=C(C1C=1C(OCCC)=CC=CC1)C(=O)OCC)C)=S