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2,6-Pyridinedicarboxylic acid, di(4-trifluoromethylbenzyl) ester
SpectraBase Compound ID cMsG1NZowZ
InChI InChI=1S/C23H15F6NO4/c24-22(25,26)16-8-4-14(5-9-16)12-33-20(31)18-2-1-3-19(30-18)21(32)34-13-15-6-10-17(11-7-15)23(27,28)29/h1-11H,12-13H2
InChIKey VOBRLDNKIQPAIO-UHFFFAOYSA-N
Mol Weight 483.37 g/mol
Molecular Formula C23H15F6NO4
Exact Mass 483.090527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GXu8Y7HM0
Name 2,6-Pyridinedicarboxylic acid, di(4-trifluoromethylbenzyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H15F6NO4
InChI InChI=1S/C23H15F6NO4/c24-22(25,26)16-8-4-14(5-9-16)12-33-20(31)18-2-1-3-19(30-18)21(32)34-13-15-6-10-17(11-7-15)23(27,28)29/h1-11H,12-13H2
InChIKey VOBRLDNKIQPAIO-UHFFFAOYSA-N
Molecular Weight 483.366 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1ccc(cc1)C(F)(F)F)=O)=O)c1ccc(cc1)C(F)(F)F
SPLASH splash10-053r-1890000000-021a2ace9b47afab22d7
Source of Spectrum TIPS-2023-981-0
Wiley ID 1885687