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2,6-Pyridinedicarboxylic acid, dodecyl hexadecyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, dodecyl hexadecyl ester
SpectraBase Compound ID AqYs02sGOxC
InChI InChI=1S/C35H61NO4/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-31-40-35(38)33-29-27-28-32(36-33)34(37)39-30-25-23-21-19-14-12-10-8-6-4-2/h27-29H,3-26,30-31H2,1-2H3
InChIKey YRRUDKNAFTYLAM-UHFFFAOYSA-N
Mol Weight 559.9 g/mol
Molecular Formula C35H61NO4
Exact Mass 559.460059 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7fwbPetRYd1
Name 2,6-Pyridinedicarboxylic acid, dodecyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 559.460059444 u
Formula C35H61NO4
InChI InChI=1S/C35H61NO4/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-31-40-35(38)33-29-27-28-32(36-33)34(37)39-30-25-23-21-19-14-12-10-8-6-4-2/h27-29H,3-26,30-31H2,1-2H3
InChIKey YRRUDKNAFTYLAM-UHFFFAOYSA-N
Molecular Weight 559.876 g/mol
SMILES CCCCCCCCCCCCCCCCOC(C=1N=C(C(OCCCCCCCCCCCC)=O)C=CC1)=O