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6-(4-Methoxyphenyl)-5-isopropoxycarbonyl-2-methyl-4-thioxopyrimidine
SpectraBase Compound ID KYKwmBWVPQb
InChI InChI=1S/C16H18N2O3S/c1-9(2)21-16(19)13-14(17-10(3)18-15(13)22)11-5-7-12(20-4)8-6-11/h5-9H,1-4H3,(H,17,18,22)
InChIKey BOZVSRKMAJVAJV-UHFFFAOYSA-N
Mol Weight 318.39 g/mol
Molecular Formula C16H18N2O3S
Exact Mass 318.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NO2mEoQsrS
Name 6-(4-Methoxyphenyl)-5-isopropoxycarbonyl-2-methyl-4-thioxopyrimidine
Comments Less than 3 mono-isotopic peaks
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Formula C16H18N2O3S
InChI InChI=1S/C16H18N2O3S/c1-9(2)21-16(19)13-14(17-10(3)18-15(13)22)11-5-7-12(20-4)8-6-11/h5-9H,1-4H3,(H,17,18,22)
InChIKey BOZVSRKMAJVAJV-UHFFFAOYSA-N
Molecular Weight 318.391 g/mol
SMILES N1C(C(=C(N=C1C)c1ccc(cc1)OC)C(=O)OC(C)C)=S
SPLASH splash10-001i-0094000000-f9cbf4d78f699cda8fcd
Source of Spectrum SO-0-88-4
Synonyms isopropyl 4-(4-methoxyphenyl)-2-methyl-6-thioxo-1,6-dihydro-5-pyrimidinecarboxylate
Wiley ID 1538438