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2,6-Pyridinedicarboxylic acid, hexyl 3-(2-methoxyethyl)nonyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, hexyl 3-(2-methoxyethyl)nonyl ester
SpectraBase Compound ID IldlNfCrnDU
InChI InChI=1S/C25H41NO5/c1-4-6-8-10-13-21(16-19-29-3)17-20-31-25(28)23-15-12-14-22(26-23)24(27)30-18-11-9-7-5-2/h12,14-15,21H,4-11,13,16-20H2,1-3H3
InChIKey QFQZMHBTRMPCPT-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 85RA2fKQkhY
Name 2,6-Pyridinedicarboxylic acid, hexyl 3-(2-methoxyethyl)nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 435.298473419 u
Formula C25H41NO5
InChI InChI=1S/C25H41NO5/c1-4-6-8-10-13-21(16-19-29-3)17-20-31-25(28)23-15-12-14-22(26-23)24(27)30-18-11-9-7-5-2/h12,14-15,21H,4-11,13,16-20H2,1-3H3
InChIKey QFQZMHBTRMPCPT-UHFFFAOYSA-N
Molecular Weight 435.605 g/mol
SMILES COCCC(CCOC(C1=NC(C(OCCCCCC)=O)=CC=C1)=O)CCCCCC