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2,6-Pyridinedicarboxylic acid, 3-(2-methoxyethyl)nonyl octyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 3-(2-methoxyethyl)nonyl octyl ester
SpectraBase Compound ID F8A29xr6QQI
InChI InChI=1S/C27H45NO5/c1-4-6-8-10-11-13-20-32-26(29)24-16-14-17-25(28-24)27(30)33-22-19-23(18-21-31-3)15-12-9-7-5-2/h14,16-17,23H,4-13,15,18-22H2,1-3H3
InChIKey MMJXYOZWXYJZKL-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 IFQMmh3P6TY
Name 2,6-Pyridinedicarboxylic acid, 3-(2-methoxyethyl)nonyl octyl 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/c1-4-6-8-10-11-13-20-32-26(29)24-16-14-17-25(28-24)27(30)33-22-19-23(18-21-31-3)15-12-9-7-5-2/h14,16-17,23H,4-13,15,18-22H2,1-3H3
InChIKey MMJXYOZWXYJZKL-UHFFFAOYSA-N
Molecular Weight 463.659 g/mol
SMILES COCCC(CCOC(C1=NC(C(OCCCCCCCC)=O)=CC=C1)=O)CCCCCC