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4-Hydroxy-4-methyl-6-(4-nitro-phenyl)-2-thioxo-hexahydro-pyrimidine-5-carboxylic acid ethyl ester
SpectraBase Compound ID 5EplPjPSPZl
InChI InChI=1S/C14H17N3O5S/c1-3-22-12(18)10-11(15-13(23)16-14(10,2)19)8-4-6-9(7-5-8)17(20)21/h4-7,10-11,19H,3H2,1-2H3,(H2,15,16,23)
InChIKey MZJXZKVHHNSFHZ-UHFFFAOYSA-N
Mol Weight 339.37 g/mol
Molecular Formula C14H17N3O5S
Exact Mass 339.088892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9GNjzuFuJ6o
Name 4-Hydroxy-4-methyl-6-(4-nitro-phenyl)-2-thioxo-hexahydro-pyrimidine-5-carboxylic acid ethyl ester
Alternate Name(s) 4-Hydroxy-4-methyl-6-(4-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester Ethyl 4-hydroxy-4-methyl-6-(4-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Ethyl 4-hydroxy-4-methyl-6-(4-nitrophenyl)-2-thioxo-hexahydropyrimidine-5-carboxylate Ethyl 4-hydroxy-4-methyl-6-(4-nitrophenyl)-2-thioxohexahydro-5-pyrimidinecarboxylate Ethyl 4-methyl-6-(4-nitrophenyl)-4-oxidanyl-2-sulfanylidene-1,3-diazinane-5-carboxylate
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Formula C14H17N3O5S
InChI InChI=1S/C14H17N3O5S/c1-3-22-12(18)10-11(15-13(23)16-14(10,2)19)8-4-6-9(7-5-8)17(20)21/h4-7,10-11,19H,3H2,1-2H3,(H2,15,16,23)
InChIKey MZJXZKVHHNSFHZ-UHFFFAOYSA-N
Molecular Weight 339.366 g/mol
SMILES N1C(=S)NC(C(C1(O)C)C(=O)OCC)c1ccc(N(=O)=O)cc1
SPLASH splash10-01ox-9410000000-87ee0b5528c85d094bde
Wiley ID 1461100