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Dimethyl 4-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

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Dimethyl 4-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
SpectraBase Compound ID IQz368QuGcT
InChI InChI=1S/C19H21BrN2O6/c1-9-15(18(24)26-3)17(16(10(2)22-9)19(25)27-4)12-7-11(20)5-6-13(12)28-8-14(21)23/h5-7,17,22H,8H2,1-4H3,(H2,21,23)
InChIKey WWAOHQUTUNQXAS-UHFFFAOYSA-N
Mol Weight 453.29 g/mol
Molecular Formula C19H21BrN2O6
Exact Mass 452.058299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6uC9ujOgV2H
Name Dimethyl 4-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 452.058299398 u
Formula C19H21BrN2O6
InChI InChI=1S/C19H21BrN2O6/c1-9-15(18(24)26-3)17(16(10(2)22-9)19(25)27-4)12-7-11(20)5-6-13(12)28-8-14(21)23/h5-7,17,22H,8H2,1-4H3,(H2,21,23)
InChIKey WWAOHQUTUNQXAS-UHFFFAOYSA-N
Molecular Weight 453.289 g/mol
SMILES N1C(=C(C(C2=C(OCC(=O)N)C=CC(=C2)Br)C(C(=O)OC)=C1C)C(=O)OC)C