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2,6-Pyridinedicarboxylic acid, 3-(2-methoxyethyl)heptyl octyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 3-(2-methoxyethyl)heptyl octyl ester
SpectraBase Compound ID 3g4MFyuFpj8
InChI InChI=1S/C25H41NO5/c1-4-6-8-9-10-11-18-30-24(27)22-14-12-15-23(26-22)25(28)31-20-17-21(13-7-5-2)16-19-29-3/h12,14-15,21H,4-11,13,16-20H2,1-3H3
InChIKey HPMSOSYNLACFEX-UHFFFAOYSA-N
Mol Weight 435.6 g/mol
Molecular Formula C25H41NO5
Exact Mass 435.298473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7yXTEWMOZjN
Name 2,6-Pyridinedicarboxylic acid, 3-(2-methoxyethyl)heptyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 435.298473419 u
Formula C25H41NO5
InChI InChI=1S/C25H41NO5/c1-4-6-8-9-10-11-18-30-24(27)22-14-12-15-23(26-22)25(28)31-20-17-21(13-7-5-2)16-19-29-3/h12,14-15,21H,4-11,13,16-20H2,1-3H3
InChIKey HPMSOSYNLACFEX-UHFFFAOYSA-N
Molecular Weight 435.605 g/mol
SMILES COCCC(CCOC(C1=NC(C(OCCCCCCCC)=O)=CC=C1)=O)CCCC