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2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl octyl ester

View entire compound with spectra: 1 MS (GC)

2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl octyl ester
SpectraBase Compound ID EX0fkCvf9id
InChI InChI=1S/C23H26F3NO4/c1-2-3-4-5-6-7-15-30-21(28)19-9-8-10-20(27-19)22(29)31-16-17-11-13-18(14-12-17)23(24,25)26/h8-14H,2-7,15-16H2,1H3
InChIKey FHFJKMANGXNRIW-UHFFFAOYSA-N
Mol Weight 437.46 g/mol
Molecular Formula C23H26F3NO4
Exact Mass 437.181393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kzp122HnNoi
Name 2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl octyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26F3NO4
InChI InChI=1S/C23H26F3NO4/c1-2-3-4-5-6-7-15-30-21(28)19-9-8-10-20(27-19)22(29)31-16-17-11-13-18(14-12-17)23(24,25)26/h8-14H,2-7,15-16H2,1H3
InChIKey FHFJKMANGXNRIW-UHFFFAOYSA-N
Molecular Weight 437.459 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1ccc(cc1)C(F)(F)F)=O)=O)CCCCCCC
SPLASH splash10-0ab9-4911000000-1ef3b9d91789e7abb9de
Source of Spectrum TIPS-2023-973-0
Wiley ID 1885679