For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2,6-Pyridinedicarboxylic acid, 2-ethylhexyl 2-methylhex-3-yl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 2-ethylhexyl 2-methylhex-3-yl ester
SpectraBase Compound ID Ggm1wTH32em
InChI InChI=1S/C22H35NO4/c1-6-9-12-17(8-3)15-26-21(24)18-13-10-14-19(23-18)22(25)27-20(11-7-2)16(4)5/h10,13-14,16-17,20H,6-9,11-12,15H2,1-5H3
InChIKey ZZDRMDAGGNKPPL-UHFFFAOYSA-N
Mol Weight 377.5 g/mol
Molecular Formula C22H35NO4
Exact Mass 377.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CpZ4NMqiYhI
Name 2,6-Pyridinedicarboxylic acid, 2-ethylhexyl 2-methylhex-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.256608607 u
Formula C22H35NO4
InChI InChI=1S/C22H35NO4/c1-6-9-12-17(8-3)15-26-21(24)18-13-10-14-19(23-18)22(25)27-20(11-7-2)16(4)5/h10,13-14,16-17,20H,6-9,11-12,15H2,1-5H3
InChIKey ZZDRMDAGGNKPPL-UHFFFAOYSA-N
Molecular Weight 377.525 g/mol
SMILES C(C1=NC(C(OC(CCC)C(C)C)=O)=CC=C1)(OCC(CCCC)CC)=O