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2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl but-2-yl ester
SpectraBase Compound ID L01L2ipWUTv
InChI InChI=1S/C19H18F3NO4/c1-3-12(2)27-18(25)16-6-4-5-15(23-16)17(24)26-11-13-7-9-14(10-8-13)19(20,21)22/h4-10,12H,3,11H2,1-2H3
InChIKey QWKPLMQAKFFMDT-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 9hP4NGkarVx
Name 2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl but-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18F3NO4
InChI InChI=1S/C19H18F3NO4/c1-3-12(2)27-18(25)16-6-4-5-15(23-16)17(24)26-11-13-7-9-14(10-8-13)19(20,21)22/h4-10,12H,3,11H2,1-2H3
InChIKey QWKPLMQAKFFMDT-UHFFFAOYSA-N
Molecular Weight 381.351 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1ccc(cc1)C(F)(F)F)=O)=O)(CC)C
SPLASH splash10-0adi-2910000000-d81e032e4325ec7a6070
Source of Spectrum TIPS-2023-984-0
Wiley ID 1885690