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2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl isobutyl ester
SpectraBase Compound ID DULqzhOmTw4
InChI InChI=1S/C19H18F3NO4/c1-12(2)10-26-17(24)15-4-3-5-16(23-15)18(25)27-11-13-6-8-14(9-7-13)19(20,21)22/h3-9,12H,10-11H2,1-2H3
InChIKey MEFDTIDQIMQJBN-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 51BRl7UY14h
Name 2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl isobutyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18F3NO4
InChI InChI=1S/C19H18F3NO4/c1-12(2)10-26-17(24)15-4-3-5-16(23-15)18(25)27-11-13-6-8-14(9-7-13)19(20,21)22/h3-9,12H,10-11H2,1-2H3
InChIKey MEFDTIDQIMQJBN-UHFFFAOYSA-N
Molecular Weight 381.351 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1ccc(cc1)C(F)(F)F)=O)=O)C(C)C
SPLASH splash10-05di-2910000000-2b1288cb29c9a23372b2
Source of Spectrum TIPS-2023-983-0
Wiley ID 1885689