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2,6-Pyridinedicarboxylic acid, hexyl 3-phenylpropyl ester

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2,6-Pyridinedicarboxylic acid, hexyl 3-phenylpropyl ester
SpectraBase Compound ID 5T8POXpqvce
InChI InChI=1S/C22H27NO4/c1-2-3-4-8-16-26-21(24)19-14-9-15-20(23-19)22(25)27-17-10-13-18-11-6-5-7-12-18/h5-7,9,11-12,14-15H,2-4,8,10,13,16-17H2,1H3
InChIKey YULXAOIYFQRAEH-UHFFFAOYSA-N
Mol Weight 369.46 g/mol
Molecular Formula C22H27NO4
Exact Mass 369.194008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B7wHIlJr3a2
Name 2,6-Pyridinedicarboxylic acid, hexyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 369.194008349 u
Formula C22H27NO4
InChI InChI=1S/C22H27NO4/c1-2-3-4-8-16-26-21(24)19-14-9-15-20(23-19)22(25)27-17-10-13-18-11-6-5-7-12-18/h5-7,9,11-12,14-15H,2-4,8,10,13,16-17H2,1H3
InChIKey YULXAOIYFQRAEH-UHFFFAOYSA-N
Molecular Weight 369.461 g/mol
SMILES CCCCCCOC(C=1N=C(C(OCCCC2=CC=CC=C2)=O)C=CC1)=O