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tert-Butyl 2-(3-tert-butoxy-2,4,5-trifluoro-6-(pyridin-2-yl)phenyl)acetate
SpectraBase Compound ID 6AfxwhaHjHP
InChI InChI=1S/C21H24F3NO3/c1-20(2,3)27-14(26)11-12-15(13-9-7-8-10-25-13)17(23)18(24)19(16(12)22)28-21(4,5)6/h7-10H,11H2,1-6H3
InChIKey FRXLVXIMGFTNKW-UHFFFAOYSA-N
Mol Weight 395.42 g/mol
Molecular Formula C21H24F3NO3
Exact Mass 395.170828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKhVbzgRCeX
Name tert-Butyl 2-(3-tert-butoxy-2,4,5-trifluoro-6-(pyridin-2-yl)phenyl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24F3NO3
InChI InChI=1S/C21H24F3NO3/c1-20(2,3)27-14(26)11-12-15(13-9-7-8-10-25-13)17(23)18(24)19(16(12)22)28-21(4,5)6/h7-10H,11H2,1-6H3
InChIKey FRXLVXIMGFTNKW-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol502499q
Molecular Weight 395.422 g/mol
SMILES c1c(nccc1)-c1c(F)c(c(OC(C)(C)C)c(F)c1CC(OC(C)(C)C)=O)F
SPLASH splash10-053i-4090000000-4d8c90439420b2a6d730
Source of Spectrum A1-16-5544/SMS10-3d
Synonyms tert-Butyl 2-(3-(tert-butoxy)-2,4,5-trifluoro-6-(pyridin-2-yl)phenyl)acetate
Wiley ID 1756119