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2,6-Pyridinedicarboxylic acid, 2-methylphenyl pentyl ester

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2,6-Pyridinedicarboxylic acid, 2-methylphenyl pentyl ester
SpectraBase Compound ID 2Wx0FNagycH
InChI InChI=1S/C19H21NO4/c1-3-4-7-13-23-18(21)15-10-8-11-16(20-15)19(22)24-17-12-6-5-9-14(17)2/h5-6,8-12H,3-4,7,13H2,1-2H3
InChIKey DWMHZIFIBOGFLW-UHFFFAOYSA-N
Mol Weight 327.38 g/mol
Molecular Formula C19H21NO4
Exact Mass 327.147058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 46mQX3jyd3D
Name 2,6-Pyridinedicarboxylic acid, 2-methylphenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 327.147058156 u
Formula C19H21NO4
InChI InChI=1S/C19H21NO4/c1-3-4-7-13-23-18(21)15-10-8-11-16(20-15)19(22)24-17-12-6-5-9-14(17)2/h5-6,8-12H,3-4,7,13H2,1-2H3
InChIKey DWMHZIFIBOGFLW-UHFFFAOYSA-N
Molecular Weight 327.380 g/mol
SMILES C1=CC=C(C(=C1)OC(C1=NC(C(OCCCCC)=O)=CC=C1)=O)C