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2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl 4-methylpent-2-yl ester
SpectraBase Compound ID 2Z3b1FQvWWt
InChI InChI=1S/C21H22F3NO4/c1-13(2)11-14(3)29-20(27)18-6-4-5-17(25-18)19(26)28-12-15-7-9-16(10-8-15)21(22,23)24/h4-10,13-14H,11-12H2,1-3H3
InChIKey BJUAFRHGIRAEEE-UHFFFAOYSA-N
Mol Weight 409.41 g/mol
Molecular Formula C21H22F3NO4
Exact Mass 409.150093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Azvk93dFwHY
Name 2,6-Pyridinedicarboxylic acid, 4-trifluoromethylbenzyl 4-methylpent-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22F3NO4
InChI InChI=1S/C21H22F3NO4/c1-13(2)11-14(3)29-20(27)18-6-4-5-17(25-18)19(26)28-12-15-7-9-16(10-8-15)21(22,23)24/h4-10,13-14H,11-12H2,1-3H3
InChIKey BJUAFRHGIRAEEE-UHFFFAOYSA-N
Molecular Weight 409.405 g/mol
SMILES C(OC(c1nc(ccc1)C(OCc1ccc(cc1)C(F)(F)F)=O)=O)(C)CC(C)C
SPLASH splash10-0a4i-6932000000-72729fcd0071da685531
Source of Spectrum TIPS-2023-985-0
Wiley ID 1885691