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2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl butyl ester

View entire compound with spectra: 1 MS (GC)

2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl butyl ester
SpectraBase Compound ID Cii4HzqXyp7
InChI InChI=1S/C19H18F3NO4/c1-2-3-11-26-17(24)15-5-4-6-16(23-15)18(25)27-12-13-7-9-14(10-8-13)19(20,21)22/h4-10H,2-3,11-12H2,1H3
InChIKey OMOSNYQLRVUNIE-UHFFFAOYSA-N
Mol Weight 381.35 g/mol
Molecular Formula C19H18F3NO4
Exact Mass 381.118793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bi53B7pdIRR
Name 2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl butyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18F3NO4
InChI InChI=1S/C19H18F3NO4/c1-2-3-11-26-17(24)15-5-4-6-16(23-15)18(25)27-12-13-7-9-14(10-8-13)19(20,21)22/h4-10H,2-3,11-12H2,1H3
InChIKey OMOSNYQLRVUNIE-UHFFFAOYSA-N
Molecular Weight 381.351 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1ccc(cc1)C(F)(F)F)=O)=O)CCC
SPLASH splash10-0a6r-2910000000-ebf4ffb7864be4528baf
Source of Spectrum TIPS-2023-970-0
Wiley ID 1885676