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tert-Butyl 2-(2,4,5-trifluoro-6-(pyridin-2-yl)-3-(trifluoromethyl)phenyl)acetate
SpectraBase Compound ID HMlXjlUz8hB
InChI InChI=1S/C18H15F6NO2/c1-17(2,3)27-11(26)8-9-12(10-6-4-5-7-25-10)15(20)16(21)13(14(9)19)18(22,23)24/h4-7H,8H2,1-3H3
InChIKey AGFRKQKDWGWNRI-UHFFFAOYSA-N
Mol Weight 391.31 g/mol
Molecular Formula C18H15F6NO2
Exact Mass 391.100698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LOGdPW5gESh
Name tert-Butyl 2-(2,4,5-trifluoro-6-(pyridin-2-yl)-3-(trifluoromethyl)phenyl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15F6NO2
InChI InChI=1S/C18H15F6NO2/c1-17(2,3)27-11(26)8-9-12(10-6-4-5-7-25-10)15(20)16(21)13(14(9)19)18(22,23)24/h4-7H,8H2,1-3H3
InChIKey AGFRKQKDWGWNRI-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol502499q
Molecular Weight 391.313 g/mol
SMILES c1c(nccc1)-c1c(F)c(F)c(c(F)c1CC(OC(C)(C)C)=O)C(F)(F)F
SPLASH splash10-0a4i-9051000000-b51425d692d89c180776
Source of Spectrum A1-16-5544/SMS11-3f
Wiley ID 1756120