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2,6-Pyridinedicarboxylic acid, heptyl phenethyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, heptyl phenethyl ester
SpectraBase Compound ID 1uBtPzzuTw7
InChI InChI=1S/C22H27NO4/c1-2-3-4-5-9-16-26-21(24)19-13-10-14-20(23-19)22(25)27-17-15-18-11-7-6-8-12-18/h6-8,10-14H,2-5,9,15-17H2,1H3
InChIKey ONEBXWZXRYIRIU-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 1U6PG5DUmsK
Name 2,6-Pyridinedicarboxylic acid, heptyl phenethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 369.194008349 u
Formula C22H27NO4
InChI InChI=1S/C22H27NO4/c1-2-3-4-5-9-16-26-21(24)19-13-10-14-20(23-19)22(25)27-17-15-18-11-7-6-8-12-18/h6-8,10-14H,2-5,9,15-17H2,1H3
InChIKey ONEBXWZXRYIRIU-UHFFFAOYSA-N
Molecular Weight 369.461 g/mol
SMILES C1=CC=CC(=C1)CCOC(C1=NC(C(OCCCCCCC)=O)=CC=C1)=O