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2,6-Pyridinedicarboxylic acid, dodecyl 2-(2-methoxyethyl)heptyl ester

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2,6-Pyridinedicarboxylic acid, dodecyl 2-(2-methoxyethyl)heptyl ester
SpectraBase Compound ID BrxEmf2wzQZ
InChI InChI=1S/C29H49NO5/c1-4-6-8-9-10-11-12-13-14-16-22-34-28(31)26-19-17-20-27(30-26)29(32)35-24-25(21-23-33-3)18-15-7-5-2/h17,19-20,25H,4-16,18,21-24H2,1-3H3
InChIKey YPJOIZWXILBDID-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 JDr3h0BG7cX
Name 2,6-Pyridinedicarboxylic acid, dodecyl 2-(2-methoxyethyl)heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 491.361073677 u
Formula C29H49NO5
InChI InChI=1S/C29H49NO5/c1-4-6-8-9-10-11-12-13-14-16-22-34-28(31)26-19-17-20-27(30-26)29(32)35-24-25(21-23-33-3)18-15-7-5-2/h17,19-20,25H,4-16,18,21-24H2,1-3H3
InChIKey YPJOIZWXILBDID-UHFFFAOYSA-N
Molecular Weight 491.713 g/mol
SMILES CCCCCCCCCCCCOC(C=1N=C(C(OCC(CCCCC)CCOC)=O)C=CC1)=O