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2,6-Pyridinedicarboxylic acid, dodecyl pentadecyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, dodecyl pentadecyl ester
SpectraBase Compound ID IVUfO5oZkm0
InChI InChI=1S/C34H59NO4/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-30-39-34(37)32-28-26-27-31(35-32)33(36)38-29-24-22-20-18-14-12-10-8-6-4-2/h26-28H,3-25,29-30H2,1-2H3
InChIKey JTWHFBBGKCOUPV-UHFFFAOYSA-N
Mol Weight 545.8 g/mol
Molecular Formula C34H59NO4
Exact Mass 545.444409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JB7Rh9Yh1Yh
Name 2,6-Pyridinedicarboxylic acid, dodecyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 545.444409380 u
Formula C34H59NO4
InChI InChI=1S/C34H59NO4/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-30-39-34(37)32-28-26-27-31(35-32)33(36)38-29-24-22-20-18-14-12-10-8-6-4-2/h26-28H,3-25,29-30H2,1-2H3
InChIKey JTWHFBBGKCOUPV-UHFFFAOYSA-N
Molecular Weight 545.849 g/mol
SMILES CCCCCCCCCCCCCCCOC(C=1N=C(C(OCCCCCCCCCCCC)=O)C=CC1)=O