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2,6-Pyridinedicarboxylic acid, 3,4,5-trifluorobenzyl isopropyl ester
SpectraBase Compound ID 66YxKJDiYqx
InChI InChI=1S/C17H14F3NO4/c1-9(2)25-17(23)14-5-3-4-13(21-14)16(22)24-8-10-6-11(18)15(20)12(19)7-10/h3-7,9H,8H2,1-2H3
InChIKey YMTHGAVMRGBXKW-UHFFFAOYSA-N
Mol Weight 353.3 g/mol
Molecular Formula C17H14F3NO4
Exact Mass 353.087492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4g2mNeJmVPz
Name 2,6-Pyridinedicarboxylic acid, 3,4,5-trifluorobenzyl isopropyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14F3NO4
InChI InChI=1S/C17H14F3NO4/c1-9(2)25-17(23)14-5-3-4-13(21-14)16(22)24-8-10-6-11(18)15(20)12(19)7-10/h3-7,9H,8H2,1-2H3
InChIKey YMTHGAVMRGBXKW-UHFFFAOYSA-N
Molecular Weight 353.297 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1cc(c(c(c1)F)F)F)=O)=O)(C)C
SPLASH splash10-01ba-2900000000-a5db8d40314233f81d66
Source of Spectrum TIPS-2023-900-0
Wiley ID 1885606