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

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2,6-Pyridinedicarboxylic acid, 1-methoxydec-4-yl undecyl ester
SpectraBase Compound ID 3MJWQ7qPD5m
InChI InChI=1S/C29H49NO5/c1-4-6-8-10-11-12-13-14-16-24-34-28(31)26-21-17-22-27(30-26)29(32)35-25(20-18-23-33-3)19-15-9-7-5-2/h17,21-22,25H,4-16,18-20,23-24H2,1-3H3
InChIKey HWQJWDFSZWCQEJ-UHFFFAOYSA-N
Mol Weight 491.7 g/mol
Molecular Formula C29H49NO5
Exact Mass 491.361074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1baqoeR5Pk3
Name 2,6-Pyridinedicarboxylic acid, 1-methoxydec-4-yl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 491.361073677 u
Formula C29H49NO5
InChI InChI=1S/C29H49NO5/c1-4-6-8-10-11-12-13-14-16-24-34-28(31)26-21-17-22-27(30-26)29(32)35-25(20-18-23-33-3)19-15-9-7-5-2/h17,21-22,25H,4-16,18-20,23-24H2,1-3H3
InChIKey HWQJWDFSZWCQEJ-UHFFFAOYSA-N
Molecular Weight 491.713 g/mol
SMILES CCCCCCC(OC(C1=NC(C(OCCCCCCCCCCC)=O)=CC=C1)=O)CCCOC