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2-Methylpropyl 4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
SpectraBase Compound ID 3ahE4fK220j
InChI InChI=1S/C17H21N3O7/c1-8(2)7-27-16(22)13-9(3)18-17(23)19-14(13)10-5-11(20(24)25)15(21)12(6-10)26-4/h5-6,8,14,21H,7H2,1-4H3,(H2,18,19,23)
InChIKey RJDJOIIHJYOLGG-UHFFFAOYSA-N
Mol Weight 379.37 g/mol
Molecular Formula C17H21N3O7
Exact Mass 379.13795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5f4GGVK3tN9
Name 2-Methylpropyl 4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Alternate Name(s) 2-Methylpropyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate 4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isobutyl ester 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methylpropyl ester isobutyl 4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
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Formula C17H21N3O7
InChI InChI=1S/C17H21N3O7/c1-8(2)7-27-16(22)13-9(3)18-17(23)19-14(13)10-5-11(20(24)25)15(21)12(6-10)26-4/h5-6,8,14,21H,7H2,1-4H3,(H2,18,19,23)
InChIKey RJDJOIIHJYOLGG-UHFFFAOYSA-N
Molecular Weight 379.369 g/mol
SMILES N1C(NC(=C(C1c1cc(c(c(c1)N(=O)=O)O)OC)C(OCC(C)C)=O)C)=O
SPLASH splash10-052f-9521000000-aa3e9211d76371bf51c4
Wiley ID 1453814