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2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl octadecyl ester
SpectraBase Compound ID 775Rp0WhdJY
InChI InChI=1S/C33H46F3NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-40-31(38)29-19-18-20-30(37-29)32(39)41-26-27-21-23-28(24-22-27)33(34,35)36/h18-24H,2-17,25-26H2,1H3
InChIKey DOQAVZODDNVVEW-UHFFFAOYSA-N
Mol Weight 577.7 g/mol
Molecular Formula C33H46F3NO4
Exact Mass 577.337893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXVuaLWfck6
Name 2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl octadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H46F3NO4
InChI InChI=1S/C33H46F3NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-40-31(38)29-19-18-20-30(37-29)32(39)41-26-27-21-23-28(24-22-27)33(34,35)36/h18-24H,2-17,25-26H2,1H3
InChIKey DOQAVZODDNVVEW-UHFFFAOYSA-N
Molecular Weight 577.729 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1ccc(cc1)C(F)(F)F)=O)=O)CCCCCCCCCCCCCCCCC
SPLASH splash10-0ab9-6923100000-11ff683242fc7a7575c0
Source of Spectrum TIPS-2023-980-0
Wiley ID 1885686