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2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl heptadecyl ester
SpectraBase Compound ID IJFw85y6y60
InChI InChI=1S/C32H44F3NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-39-30(37)28-18-17-19-29(36-28)31(38)40-25-26-20-22-27(23-21-26)32(33,34)35/h17-23H,2-16,24-25H2,1H3
InChIKey GWGAMGJRXOZHKK-UHFFFAOYSA-N
Mol Weight 563.7 g/mol
Molecular Formula C32H44F3NO4
Exact Mass 563.322243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16M4LVeuw4R
Name 2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl heptadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H44F3NO4
InChI InChI=1S/C32H44F3NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-39-30(37)28-18-17-19-29(36-28)31(38)40-25-26-20-22-27(23-21-26)32(33,34)35/h17-23H,2-16,24-25H2,1H3
InChIKey GWGAMGJRXOZHKK-UHFFFAOYSA-N
Molecular Weight 563.702 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1ccc(cc1)C(F)(F)F)=O)=O)CCCCCCCCCCCCCCCC
SPLASH splash10-0a4i-6923000000-5fa75bd5fd4c5cd907b1
Source of Spectrum TIPS-2023-979-0
Wiley ID 1885685