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2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl heptyl ester
SpectraBase Compound ID C7VoYSMkgzb
InChI InChI=1S/C22H24F3NO4/c1-2-3-4-5-6-14-29-20(27)18-8-7-9-19(26-18)21(28)30-15-16-10-12-17(13-11-16)22(23,24)25/h7-13H,2-6,14-15H2,1H3
InChIKey AWGGXGAOQVSWML-UHFFFAOYSA-N
Mol Weight 423.43 g/mol
Molecular Formula C22H24F3NO4
Exact Mass 423.165743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IxdkDzri9aN
Name 2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24F3NO4
InChI InChI=1S/C22H24F3NO4/c1-2-3-4-5-6-14-29-20(27)18-8-7-9-19(26-18)21(28)30-15-16-10-12-17(13-11-16)22(23,24)25/h7-13H,2-6,14-15H2,1H3
InChIKey AWGGXGAOQVSWML-UHFFFAOYSA-N
Molecular Weight 423.432 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1ccc(cc1)C(F)(F)F)=O)=O)CCCCCC
SPLASH splash10-0ab9-4910000000-b6202854a9d358e4502d
Source of Spectrum TIPS-2023-972-0
Wiley ID 1885678