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2,6-Pyridinedicarboxylic acid, pentadecyl pentyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, pentadecyl pentyl ester
SpectraBase Compound ID Frsjrz0eFpq
InChI InChI=1S/C27H45NO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-23-32-27(30)25-21-19-20-24(28-25)26(29)31-22-17-6-4-2/h19-21H,3-18,22-23H2,1-2H3
InChIKey VCJKHOIFIKMELL-UHFFFAOYSA-N
Mol Weight 447.7 g/mol
Molecular Formula C27H45NO4
Exact Mass 447.334859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BXu3bH8rNn8
Name 2,6-Pyridinedicarboxylic acid, pentadecyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 447.334858929 u
Formula C27H45NO4
InChI InChI=1S/C27H45NO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-23-32-27(30)25-21-19-20-24(28-25)26(29)31-22-17-6-4-2/h19-21H,3-18,22-23H2,1-2H3
InChIKey VCJKHOIFIKMELL-UHFFFAOYSA-N
Molecular Weight 447.660 g/mol
SMILES CCCCCCCCCCCCCCCOC(C=1N=C(C(OCCCCC)=O)C=CC1)=O