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Dimethyl 4-(3-bromophenyl)-1,2,6-trimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
SpectraBase Compound ID GxRlwtLGazs
InChI InChI=1S/C18H20BrNO4/c1-10-14(17(21)23-4)16(12-7-6-8-13(19)9-12)15(18(22)24-5)11(2)20(10)3/h6-9,16H,1-5H3
InChIKey MRHZJJHVJUUOJT-UHFFFAOYSA-N
Mol Weight 394.27 g/mol
Molecular Formula C18H20BrNO4
Exact Mass 393.057571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GWSOBB86aEo
Name Dimethyl 4-(3-bromophenyl)-1,2,6-trimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 393.057571124 u
Formula C18H20BrNO4
InChI InChI=1S/C18H20BrNO4/c1-10-14(17(21)23-4)16(12-7-6-8-13(19)9-12)15(18(22)24-5)11(2)20(10)3/h6-9,16H,1-5H3
InChIKey MRHZJJHVJUUOJT-UHFFFAOYSA-N
Molecular Weight 394.265 g/mol
SMILES C1(C(=O)OC)=C(C)N(C)C(C)=C(C1C1=CC(=CC=C1)Br)C(=O)OC