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2,6-Pyridinedicarboxylic acid, dodecyl 5-methoxy-3-methylpent-2-yl ester

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2,6-Pyridinedicarboxylic acid, dodecyl 5-methoxy-3-methylpent-2-yl ester
SpectraBase Compound ID 67GUVsvOti0
InChI InChI=1S/C26H43NO5/c1-5-6-7-8-9-10-11-12-13-14-19-31-25(28)23-16-15-17-24(27-23)26(29)32-22(3)21(2)18-20-30-4/h15-17,21-22H,5-14,18-20H2,1-4H3
InChIKey BJEMRZZNODXGKM-UHFFFAOYSA-N
Mol Weight 449.6 g/mol
Molecular Formula C26H43NO5
Exact Mass 449.314123 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ZAwUTiLIHW
Name 2,6-Pyridinedicarboxylic acid, dodecyl 5-methoxy-3-methylpent-2-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.314123484 u
Formula C26H43NO5
InChI InChI=1S/C26H43NO5/c1-5-6-7-8-9-10-11-12-13-14-19-31-25(28)23-16-15-17-24(27-23)26(29)32-22(3)21(2)18-20-30-4/h15-17,21-22H,5-14,18-20H2,1-4H3
InChIKey BJEMRZZNODXGKM-UHFFFAOYSA-N
Molecular Weight 449.632 g/mol
SMILES CC(OC(C1=NC(C(OCCCCCCCCCCCC)=O)=CC=C1)=O)C(CCOC)C