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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 5-methoxy-3-methylpent-2-yl tridecyl ester
SpectraBase Compound ID 5NhPKCiOwLs
InChI InChI=1S/C27H45NO5/c1-5-6-7-8-9-10-11-12-13-14-15-20-32-26(29)24-17-16-18-25(28-24)27(30)33-23(3)22(2)19-21-31-4/h16-18,22-23H,5-15,19-21H2,1-4H3
InChIKey HDCDYKNLHVPRJQ-UHFFFAOYSA-N
Mol Weight 463.7 g/mol
Molecular Formula C27H45NO5
Exact Mass 463.329774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CToG1OtvImN
Name 2,6-Pyridinedicarboxylic acid, 5-methoxy-3-methylpent-2-yl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.329773548 u
Formula C27H45NO5
InChI InChI=1S/C27H45NO5/c1-5-6-7-8-9-10-11-12-13-14-15-20-32-26(29)24-17-16-18-25(28-24)27(30)33-23(3)22(2)19-21-31-4/h16-18,22-23H,5-15,19-21H2,1-4H3
InChIKey HDCDYKNLHVPRJQ-UHFFFAOYSA-N
Molecular Weight 463.659 g/mol
SMILES CC(OC(C1=NC(C(OCCCCCCCCCCCCC)=O)=CC=C1)=O)C(CCOC)C