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2-[1-methyl-1-(phenylthio)ethyl]pyrimidine-4,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID CyMBuu3RD0C
InChI InChI=1S/C17H18N2O4S/c1-17(2,24-11-8-6-5-7-9-11)16-18-10-12(14(20)22-3)13(19-16)15(21)23-4/h5-10H,1-4H3
InChIKey KSUMYQJOOLPDLV-UHFFFAOYSA-N
Mol Weight 346.4 g/mol
Molecular Formula C17H18N2O4S
Exact Mass 346.098728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmMVgaGErnM
Name 2-[1-methyl-1-(phenylthio)ethyl]pyrimidine-4,5-dicarboxylic acid dimethyl ester
Alternate Name(s) 2-[2-(phenylthio)propan-2-yl]pyrimidine-4,5-dicarboxylic acid dimethyl ester Dimethyl 2-(1-methyl-1-phenylsulfanyl-ethyl)pyrimidine-4,5-dicarboxylate Dimethyl 2-(2-phenylsulfanylpropan-2-yl)pyrimidine-4,5-dicarboxylate
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Formula C17H18N2O4S
InChI InChI=1S/C17H18N2O4S/c1-17(2,24-11-8-6-5-7-9-11)16-18-10-12(14(20)22-3)13(19-16)15(21)23-4/h5-10H,1-4H3
InChIKey KSUMYQJOOLPDLV-UHFFFAOYSA-N
Molecular Weight 346.401 g/mol
SMILES c1(nc(ncc1C(=O)OC)C(Sc1ccccc1)(C)C)C(=O)OC
SPLASH splash10-002r-0393000000-84f8eef1a2f628bccb6a
Source of Spectrum J-61-2482-50
Wiley ID 1339082