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2-[1-methyl-1-(phenylthio)ethyl]pyrimidine-5-carboxylic acid ethyl ester
SpectraBase Compound ID E5NPIcg6DE3
InChI InChI=1S/C16H18N2O2S/c1-4-20-14(19)12-10-17-15(18-11-12)16(2,3)21-13-8-6-5-7-9-13/h5-11H,4H2,1-3H3
InChIKey SRJMFZYEJFYXCS-UHFFFAOYSA-N
Mol Weight 302.39 g/mol
Molecular Formula C16H18N2O2S
Exact Mass 302.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MFLy0TDNAW
Name 2-[1-methyl-1-(phenylthio)ethyl]pyrimidine-5-carboxylic acid ethyl ester
Alternate Name(s) 2-[2-(phenylthio)propan-2-yl]-5-pyrimidinecarboxylic acid ethyl ester Ethyl 2-(1-methyl-1-phenylsulfanyl-ethyl)pyrimidine-5-carboxylate Ethyl 2-(2-phenylsulfanylpropan-2-yl)pyrimidine-5-carboxylate
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Formula C16H18N2O2S
InChI InChI=1S/C16H18N2O2S/c1-4-20-14(19)12-10-17-15(18-11-12)16(2,3)21-13-8-6-5-7-9-13/h5-11H,4H2,1-3H3
InChIKey SRJMFZYEJFYXCS-UHFFFAOYSA-N
Molecular Weight 302.392 g/mol
SMILES c1(ncc(cn1)C(=O)OCC)C(Sc1ccccc1)(C)C
SPLASH splash10-00kf-0901000000-a803e3c989995952212f
Source of Spectrum J-61-2482-51
Wiley ID 1304545