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Tert-butyl 4-(3-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

View entire compound with spectra: 2 NMR

Tert-butyl 4-(3-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID L9XXhiAdJ0B
InChI InChI=1S/C16H19BrN2O3/c1-9-12(14(20)22-16(2,3)4)13(19-15(21)18-9)10-6-5-7-11(17)8-10/h5-8,13H,1-4H3,(H2,18,19,21)
InChIKey TWSKBDDVRANJIZ-UHFFFAOYSA-N
Mol Weight 367.24 g/mol
Molecular Formula C16H19BrN2O3
Exact Mass 366.057905 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gmmv6fiPUpg
Name Tert-butyl 4-(3-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 366.057905477 u
Formula C16H19BrN2O3
InChI InChI=1S/C16H19BrN2O3/c1-9-12(14(20)22-16(2,3)4)13(19-15(21)18-9)10-6-5-7-11(17)8-10/h5-8,13H,1-4H3,(H2,18,19,21)
InChIKey TWSKBDDVRANJIZ-UHFFFAOYSA-N
Molecular Weight 367.243 g/mol
SMILES N1C(NC(=C(C1C=1C=C(Br)C=CC1)C(OC(C)(C)C)=O)C)=O