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2-[(phenylthio)methyl]-5-pyrimidinecarboxylic acid ethyl ester
SpectraBase Compound ID AGtlo8UV4go
InChI InChI=1S/C14H14N2O2S/c1-2-18-14(17)11-8-15-13(16-9-11)10-19-12-6-4-3-5-7-12/h3-9H,2,10H2,1H3
InChIKey WARFKOSTBBTOCK-UHFFFAOYSA-N
Mol Weight 274.34 g/mol
Molecular Formula C14H14N2O2S
Exact Mass 274.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IWqSsJlRS6D
Name 2-[(phenylthio)methyl]-5-pyrimidinecarboxylic acid ethyl ester
Alternate Name(s) 2-[(phenylthio)methyl]pyrimidine-5-carboxylic acid ethyl ester Ethyl 2-(phenylsulfanylmethyl)pyrimidine-5-carboxylate
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Formula C14H14N2O2S
InChI InChI=1S/C14H14N2O2S/c1-2-18-14(17)11-8-15-13(16-9-11)10-19-12-6-4-3-5-7-12/h3-9H,2,10H2,1H3
InChIKey WARFKOSTBBTOCK-UHFFFAOYSA-N
Molecular Weight 274.338 g/mol
SMILES c1(C(=O)OCC)cnc(nc1)CSc1ccccc1
SPLASH splash10-00di-0090000000-4aa176ab31d5c181b557
Source of Spectrum J-61-2481-48
Wiley ID 1277931