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2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl tetradecyl ester
SpectraBase Compound ID JRYU2FB8ZTh
InChI InChI=1S/C29H38F3NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-36-27(34)25-15-14-16-26(33-25)28(35)37-22-23-17-19-24(20-18-23)29(30,31)32/h14-20H,2-13,21-22H2,1H3
InChIKey IKOOLUPDNXDZEE-UHFFFAOYSA-N
Mol Weight 521.6 g/mol
Molecular Formula C29H38F3NO4
Exact Mass 521.275293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EswEfVUxgI4
Name 2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl tetradecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38F3NO4
InChI InChI=1S/C29H38F3NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-36-27(34)25-15-14-16-26(33-25)28(35)37-22-23-17-19-24(20-18-23)29(30,31)32/h14-20H,2-13,21-22H2,1H3
InChIKey IKOOLUPDNXDZEE-UHFFFAOYSA-N
Molecular Weight 521.621 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1ccc(cc1)C(F)(F)F)=O)=O)CCCCCCCCCCCCC
SPLASH splash10-0a4i-5933000000-db47b9b5655f6358a9aa
Source of Spectrum TIPS-2023-976-0
Wiley ID 1885682