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2,6-Pyridinedicarboxylic acid, di(3-(2-methoxyethyl)heptyl) ester

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2,6-Pyridinedicarboxylic acid, di(3-(2-methoxyethyl)heptyl) ester
SpectraBase Compound ID 5PmA82XXNC8
InChI InChI=1S/C27H45NO6/c1-5-7-10-22(14-18-31-3)16-20-33-26(29)24-12-9-13-25(28-24)27(30)34-21-17-23(11-8-6-2)15-19-32-4/h9,12-13,22-23H,5-8,10-11,14-21H2,1-4H3
InChIKey ZSNUVCXJOBFQLE-UHFFFAOYSA-N
Mol Weight 479.7 g/mol
Molecular Formula C27H45NO6
Exact Mass 479.324688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G3X5H5F9eTM
Name 2,6-Pyridinedicarboxylic acid, di(3-(2-methoxyethyl)heptyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 479.324688167 u
Formula C27H45NO6
InChI InChI=1S/C27H45NO6/c1-5-7-10-22(14-18-31-3)16-20-33-26(29)24-12-9-13-25(28-24)27(30)34-21-17-23(11-8-6-2)15-19-32-4/h9,12-13,22-23H,5-8,10-11,14-21H2,1-4H3
InChIKey ZSNUVCXJOBFQLE-UHFFFAOYSA-N
Molecular Weight 479.658 g/mol
SMILES COCCC(CCOC(C1=NC(C(OCCC(CCOC)CCCC)=O)=CC=C1)=O)CCCC