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2-(methylthio)-3-phenyl-4H-pyrimidine-5-carboxylic acid ethyl ester
SpectraBase Compound ID 4875wKTIj5U
InChI InChI=1S/C14H16N2O2S/c1-3-18-13(17)11-9-15-14(19-2)16(10-11)12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3
InChIKey HDMUPVKSKSTCMM-UHFFFAOYSA-N
Mol Weight 276.35 g/mol
Molecular Formula C14H16N2O2S
Exact Mass 276.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tvnwrxA3so
Name 2-(methylthio)-3-phenyl-4H-pyrimidine-5-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 2-methylsulfanyl-3-phenyl-4H-pyrimidine-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O2S
InChI InChI=1S/C14H16N2O2S/c1-3-18-13(17)11-9-15-14(19-2)16(10-11)12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3
InChIKey HDMUPVKSKSTCMM-UHFFFAOYSA-N
Molecular Weight 276.354 g/mol
SMILES C=1(N(CC(=CN1)C(=O)OCC)c1ccccc1)SC
SPLASH splash10-03fs-3390000000-e944195c1a2618eb93f2
Source of Spectrum SO-0-697-5
Wiley ID 877675