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1-[4-(4-Chlorophenyl)-5-ethanoyl-2,6-dimethyl-1,4-dihydropyridin-3-yl]ethanone
SpectraBase Compound ID 9rWurByHsqx
InChI InChI=1S/C17H18ClNO2/c1-9-15(11(3)20)17(13-5-7-14(18)8-6-13)16(12(4)21)10(2)19-9/h5-8,17,19H,1-4H3
InChIKey FTSPTVAJNHGQFB-UHFFFAOYSA-N
Mol Weight 303.79 g/mol
Molecular Formula C17H18ClNO2
Exact Mass 303.102607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91XTqCCV7gW
Name 1-[4-(4-Chlorophenyl)-5-ethanoyl-2,6-dimethyl-1,4-dihydropyridin-3-yl]ethanone
Comments Computed using HOSE algorithm
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Exact Mass 303.102606522 u
Formula C17H18ClNO2
InChI InChI=1S/C17H18ClNO2/c1-9-15(11(3)20)17(13-5-7-14(18)8-6-13)16(12(4)21)10(2)19-9/h5-8,17,19H,1-4H3
InChIKey FTSPTVAJNHGQFB-UHFFFAOYSA-N
Molecular Weight 303.789 g/mol
SMILES C1(=C(C(C(=C(N1)C)C(=O)C)C=1C=CC(=CC1)Cl)C(=O)C)C