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2,6-Pyridinedicarboxylic acid, di(3,4,5-trifluorobenzyl) ester
SpectraBase Compound ID EgicFtKa1A2
InChI InChI=1S/C21H11F6NO4/c22-12-4-10(5-13(23)18(12)26)8-31-20(29)16-2-1-3-17(28-16)21(30)32-9-11-6-14(24)19(27)15(25)7-11/h1-7H,8-9H2
InChIKey JZFMLLBFCMFNMU-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 90yWHUtvzsb
Name 2,6-Pyridinedicarboxylic acid, di(3,4,5-trifluorobenzyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H11F6NO4
InChI InChI=1S/C21H11F6NO4/c22-12-4-10(5-13(23)18(12)26)8-31-20(29)16-2-1-3-17(28-16)21(30)32-9-11-6-14(24)19(27)15(25)7-11/h1-7H,8-9H2
InChIKey JZFMLLBFCMFNMU-UHFFFAOYSA-N
Molecular Weight 455.312 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1cc(c(c(c1)F)F)F)=O)=O)c1cc(c(c(c1)F)F)F
SPLASH splash10-014j-1980000000-a09e1af7909a0ad600dc
Source of Spectrum TIPS-2023-899-0
Wiley ID 1885605