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2-[(4-keto-5-methyl-6-veratryl-1H-pyrimidin-2-yl)thio]acetic acid ethyl ester
SpectraBase Compound ID L6VA97h4N4c
InChI InChI=1S/C18H22N2O5S/c1-5-25-16(21)10-26-18-19-13(11(2)17(22)20-18)8-12-6-7-14(23-3)15(9-12)24-4/h6-7,9H,5,8,10H2,1-4H3,(H,19,20,22)
InChIKey JFVALXYNUJXWEX-UHFFFAOYSA-N
Mol Weight 378.44 g/mol
Molecular Formula C18H22N2O5S
Exact Mass 378.124943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOicuWFUD0h
Name 2-[(4-keto-5-methyl-6-veratryl-1H-pyrimidin-2-yl)thio]acetic acid ethyl ester
Alternate Name(s) 2-[[6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid ethyl ester Ethyl 2-[[6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Ethyl 2-[[6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate
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Formula C18H22N2O5S
InChI InChI=1S/C18H22N2O5S/c1-5-25-16(21)10-26-18-19-13(11(2)17(22)20-18)8-12-6-7-14(23-3)15(9-12)24-4/h6-7,9H,5,8,10H2,1-4H3,(H,19,20,22)
InChIKey JFVALXYNUJXWEX-UHFFFAOYSA-N
Molecular Weight 378.443 g/mol
SMILES N1C(=NC(=C(C1=O)C)Cc1cc(OC)c(cc1)OC)SCC(=O)OCC
SPLASH splash10-056r-0119000000-4d8104bc80030cf3d67d
Source of Spectrum SK-32-1374-8
Wiley ID 1548713