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2,6-Pyridinedicarboxylic acid, 3,4,5-trifluorobenzyl propyl ester
SpectraBase Compound ID 1ibWVufVvjS
InChI InChI=1S/C17H14F3NO4/c1-2-6-24-16(22)13-4-3-5-14(21-13)17(23)25-9-10-7-11(18)15(20)12(19)8-10/h3-5,7-8H,2,6,9H2,1H3
InChIKey KOTKEPTVPBUUJR-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 EilVBK7wAAW
Name 2,6-Pyridinedicarboxylic acid, 3,4,5-trifluorobenzyl propyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14F3NO4
InChI InChI=1S/C17H14F3NO4/c1-2-6-24-16(22)13-4-3-5-14(21-13)17(23)25-9-10-7-11(18)15(20)12(19)8-10/h3-5,7-8H,2,6,9H2,1H3
InChIKey KOTKEPTVPBUUJR-UHFFFAOYSA-N
Molecular Weight 353.297 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1cc(c(c(c1)F)F)F)=O)=O)CC
SPLASH splash10-014i-1900000000-f8b9a3602a5cad8697a6
Source of Spectrum TIPS-2023-896-0
Wiley ID 1885602