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2-(6-Methyl-2-thioxo-hexahydro-pyrimidin-4-yl)-3-oxo-3-phenyl-propionic acid ethyl ester
SpectraBase Compound ID 21USguFovVV
InChI InChI=1S/C16H20N2O3S/c1-3-21-15(20)13(12-9-10(2)17-16(22)18-12)14(19)11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3,(H2,17,18,22)
InChIKey MYOAFEBHIMLHPU-UHFFFAOYSA-N
Mol Weight 320.41 g/mol
Molecular Formula C16H20N2O3S
Exact Mass 320.119464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCan35wqNuc
Name 2-(6-Methyl-2-thioxo-hexahydro-pyrimidin-4-yl)-3-oxo-3-phenyl-propionic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O3S
InChI InChI=1S/C16H20N2O3S/c1-3-21-15(20)13(12-9-10(2)17-16(22)18-12)14(19)11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3,(H2,17,18,22)
InChIKey MYOAFEBHIMLHPU-UHFFFAOYSA-N
Molecular Weight 320.407 g/mol
SMILES N1C(CC(NC1=S)C)C(C(=O)c1ccccc1)C(=O)OCC
SPLASH splash10-056r-6911000000-53ee13fec428c063ba5f
Synonyms 2-(6-Methyl-2-sulfanylidene-1,3-diazinan-4-yl)-3-oxo-3-phenylpropanoic acid ethyl ester 3-keto-2-(6-methyl-2-thioxo-hexahydropyrimidin-4-yl)-3-phenyl-propionic acid ethyl ester Ethyl 2-(6-methyl-2-sulfanylidene-1,3-diazinan-4-yl)-3-oxidanylidene-3-phenyl-propanoate Ethyl 2-(6-methyl-2-sulfanylidene-1,3-diazinan-4-yl)-3-oxo-3-phenylpropanoate Ethyl 2-(6-methyl-2-thioxo-hexahydropyrimidin-4-yl)-3-oxo-3-phenyl-propanoate Ethyl 2-(6-methyl-2-thioxohexahydro-4-pyrimidinyl)-3-oxo-3-phenylpropanoate
Wiley ID 1460318