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4-(5'-Bromo-2'-furyl)-3-acetyl-5-(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(5'-Bromo-2'-furyl)-3-acetyl-5-(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine
SpectraBase Compound ID H47WsO4lUHc
InChI InChI=1S/C15H16BrNO4/c1-7-12(9(3)18)14(10-5-6-11(16)21-10)13(8(2)17-7)15(19)20-4/h5-6,14,17H,1-4H3
InChIKey DXUNRICIQAREDK-UHFFFAOYSA-N
Mol Weight 354.2 g/mol
Molecular Formula C15H16BrNO4
Exact Mass 353.026271 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JrPc871Mu4M
Name 4-(5'-Bromo-2'-furyl)-3-acetyl-5-(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine
Comments Computed using HOSE algorithm
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Exact Mass 353.026270995 u
Formula C15H16BrNO4
InChI InChI=1S/C15H16BrNO4/c1-7-12(9(3)18)14(10-5-6-11(16)21-10)13(8(2)17-7)15(19)20-4/h5-6,14,17H,1-4H3
InChIKey DXUNRICIQAREDK-UHFFFAOYSA-N
Molecular Weight 354.200 g/mol
SMILES C=1(C(C(C(=O)C)=C(NC1C)C)C=1OC(Br)=CC1)C(=O)OC