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2,6-Pyridinedicarboxylic acid, heptyl 1-methoxydec-4-yl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, heptyl 1-methoxydec-4-yl ester
SpectraBase Compound ID 3j21xOOsSU0
InChI InChI=1S/C25H41NO5/c1-4-6-8-10-12-20-30-24(27)22-17-13-18-23(26-22)25(28)31-21(16-14-19-29-3)15-11-9-7-5-2/h13,17-18,21H,4-12,14-16,19-20H2,1-3H3
InChIKey YIIPDJKSHFZAHB-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 FURDn1UGzxg
Name 2,6-Pyridinedicarboxylic acid, heptyl 1-methoxydec-4-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 435.298473419 u
Formula C25H41NO5
InChI InChI=1S/C25H41NO5/c1-4-6-8-10-12-20-30-24(27)22-17-13-18-23(26-22)25(28)31-21(16-14-19-29-3)15-11-9-7-5-2/h13,17-18,21H,4-12,14-16,19-20H2,1-3H3
InChIKey YIIPDJKSHFZAHB-UHFFFAOYSA-N
Molecular Weight 435.605 g/mol
SMILES C(CCCCC(OC(C1=NC(C(OCCCCCCC)=O)=CC=C1)=O)CCCOC)C