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2,6-Pyridinedicarboxylic acid, di(2,4,5-trifluorobenzyl) ester
SpectraBase Compound ID LQB24EMcq3h
InChI InChI=1S/C21H11F6NO4/c22-12-6-16(26)14(24)4-10(12)8-31-20(29)18-2-1-3-19(28-18)21(30)32-9-11-5-15(25)17(27)7-13(11)23/h1-7H,8-9H2
InChIKey XECVCJRWXVXVST-UHFFFAOYSA-N
Mol Weight 455.31 g/mol
Molecular Formula C21H11F6NO4
Exact Mass 455.059227 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZrMhIDrnBB
Name 2,6-Pyridinedicarboxylic acid, di(2,4,5-trifluorobenzyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H11F6NO4
InChI InChI=1S/C21H11F6NO4/c22-12-6-16(26)14(24)4-10(12)8-31-20(29)18-2-1-3-19(28-18)21(30)32-9-11-5-15(25)17(27)7-13(11)23/h1-7H,8-9H2
InChIKey XECVCJRWXVXVST-UHFFFAOYSA-N
Molecular Weight 455.312 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1c(cc(c(c1)F)F)F)=O)=O)c1cc(c(cc1F)F)F
SPLASH splash10-00kb-3940000000-c90e7dc1c279dc859f44
Source of Spectrum TIPS-2023-909-0
Wiley ID 1885615