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2,6-Pyridinedicarboxylic acid, 3-methylbutyl pentadecyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 3-methylbutyl pentadecyl ester
SpectraBase Compound ID ApoHmGco5vo
InChI InChI=1S/C27H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-31-26(29)24-18-17-19-25(28-24)27(30)32-22-20-23(2)3/h17-19,23H,4-16,20-22H2,1-3H3
InChIKey MWBIQJWPTPTBTP-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 zhkib3JA7c
Name 2,6-Pyridinedicarboxylic acid, 3-methylbutyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 447.334858929 u
Formula C27H45NO4
InChI InChI=1S/C27H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-31-26(29)24-18-17-19-25(28-24)27(30)32-22-20-23(2)3/h17-19,23H,4-16,20-22H2,1-3H3
InChIKey MWBIQJWPTPTBTP-UHFFFAOYSA-N
Molecular Weight 447.660 g/mol
SMILES CC(CCOC(C1=NC(C(OCCCCCCCCCCCCCCC)=O)=CC=C1)=O)C