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2,6-Pyridinedicarboxylic acid, di(3,4-difluorobenzyl) ester
SpectraBase Compound ID 9dY49UDmPQ2
InChI InChI=1S/C21H13F4NO4/c22-14-6-4-12(8-16(14)24)10-29-20(27)18-2-1-3-19(26-18)21(28)30-11-13-5-7-15(23)17(25)9-13/h1-9H,10-11H2
InChIKey LBPWGAHLGOCOKD-UHFFFAOYSA-N
Mol Weight 419.33 g/mol
Molecular Formula C21H13F4NO4
Exact Mass 419.078071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BbhynILJ5Or
Name 2,6-Pyridinedicarboxylic acid, di(3,4-difluorobenzyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H13F4NO4
InChI InChI=1S/C21H13F4NO4/c22-14-6-4-12(8-16(14)24)10-29-20(27)18-2-1-3-19(26-18)21(28)30-11-13-5-7-15(23)17(25)9-13/h1-9H,10-11H2
InChIKey LBPWGAHLGOCOKD-UHFFFAOYSA-N
Molecular Weight 419.332 g/mol
SMILES c1(nc(ccc1)C(OCc1cc(c(cc1)F)F)=O)C(OCc1ccc(c(c1)F)F)=O
SPLASH splash10-004j-1970000000-70274f341d9744269f3a
Source of Spectrum TIPS-2023-139-0
Wiley ID 1884847