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Diallyl 4-[5-(4-bromophenyl)-2-furyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

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Diallyl 4-[5-(4-bromophenyl)-2-furyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
SpectraBase Compound ID FRKJYtK5Bo6
InChI InChI=1S/C25H24BrNO5/c1-5-13-30-24(28)21-15(3)27-16(4)22(25(29)31-14-6-2)23(21)20-12-11-19(32-20)17-7-9-18(26)10-8-17/h5-12,23,27H,1-2,13-14H2,3-4H3
InChIKey QMUJTUVZHNJGRA-UHFFFAOYSA-N
Mol Weight 498.37 g/mol
Molecular Formula C25H24BrNO5
Exact Mass 497.083786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5cgIRHMD47k
Name Diallyl 4-[5-(4-bromophenyl)-2-furyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 497.083785872 u
Formula C25H24BrNO5
InChI InChI=1S/C25H24BrNO5/c1-5-13-30-24(28)21-15(3)27-16(4)22(25(29)31-14-6-2)23(21)20-12-11-19(32-20)17-7-9-18(26)10-8-17/h5-12,23,27H,1-2,13-14H2,3-4H3
InChIKey QMUJTUVZHNJGRA-UHFFFAOYSA-N
Molecular Weight 498.373 g/mol
SMILES N1C(=C(C(C(=C1C)C(=O)OCC=C)C=1OC(C2=CC=C(C=C2)Br)=CC1)C(=O)OCC=C)C