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4-(5'-Nitro-2'-furyl)-3-acetyl-5-(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine

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

4-(5'-Nitro-2'-furyl)-3-acetyl-5-(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine
SpectraBase Compound ID KeTbgiBY39L
InChI InChI=1S/C16H18N2O6/c1-5-23-16(20)14-9(3)17-8(2)13(10(4)19)15(14)11-6-7-12(24-11)18(21)22/h6-7,15,17H,5H2,1-4H3
InChIKey XMAAFFMFSTYNFC-UHFFFAOYSA-N
Mol Weight 334.33 g/mol
Molecular Formula C16H18N2O6
Exact Mass 334.116486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3QOPvn8rfz
Name 4-(5'-Nitro-2'-furyl)-3-acetyl-5-(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine
Comments Computed using HOSE algorithm
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Exact Mass 334.116486302 u
Formula C16H18N2O6
InChI InChI=1S/C16H18N2O6/c1-5-23-16(20)14-9(3)17-8(2)13(10(4)19)15(14)11-6-7-12(24-11)18(21)22/h6-7,15,17H,5H2,1-4H3
InChIKey XMAAFFMFSTYNFC-UHFFFAOYSA-N
Molecular Weight 334.328 g/mol
SMILES C=1(C(C(C(=O)C)=C(NC1C)C)C=1OC(N(=O)=O)=CC1)C(=O)OCC