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3-Ethoxycarbonyl-4-pyrid-2-yl-6-phenyl-hexan-2,6-dione

View entire compound with spectra: 1 NMR

3-Ethoxycarbonyl-4-pyrid-2-yl-6-phenyl-hexan-2,6-dione
SpectraBase Compound ID 19Ago1gMvaT
InChI InChI=1S/C20H21NO4/c1-3-25-20(24)19(14(2)22)16(17-11-7-8-12-21-17)13-18(23)15-9-5-4-6-10-15/h4-12,16,19H,3,13H2,1-2H3
InChIKey YUDMBSSXIGNYQO-UHFFFAOYSA-N
Mol Weight 339.39 g/mol
Molecular Formula C20H21NO4
Exact Mass 339.147058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CDNquwPTS5P
Name 3-Ethoxycarbonyl-4-pyrid-2-yl-6-phenyl-hexan-2,6-dione
Comments Computed using HOSE algorithm
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Exact Mass 339.147058156 u
Formula C20H21NO4
InChI InChI=1S/C20H21NO4/c1-3-25-20(24)19(14(2)22)16(17-11-7-8-12-21-17)13-18(23)15-9-5-4-6-10-15/h4-12,16,19H,3,13H2,1-2H3
InChIKey YUDMBSSXIGNYQO-UHFFFAOYSA-N
Molecular Weight 339.391 g/mol
SMILES C1=CC=C(N=C1)C(CC(C1=CC=CC=C1)=O)C(C(=O)C)C(OCC)=O