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2,6-Dimethyl-3,5-bis[3-(4-fluoro-phenyl)-5-trifluoro-methyl-isoxazol-4-carbonyl]-pyridine

View entire compound with spectra: 1 MS (GC)

2,6-Dimethyl-3,5-bis[3-(4-fluoro-phenyl)-5-trifluoro-methyl-isoxazol-4-carbonyl]-pyridine
SpectraBase Compound ID FG1eQMT2IXd
InChI InChI=1S/C29H15F8N3O4/c1-12-18(24(41)20-22(14-3-7-16(30)8-4-14)39-43-26(20)28(32,33)34)11-19(13(2)38-12)25(42)21-23(15-5-9-17(31)10-6-15)40-44-27(21)29(35,36)37/h3-11H,1-2H3
InChIKey OAJQQMJHDUZDNN-UHFFFAOYSA-N
Mol Weight 621.44 g/mol
Molecular Formula C29H15F8N3O4
Exact Mass 621.093481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TRVmPFYyaN
Name 2,6-Dimethyl-3,5-bis[3-(4-fluoro-phenyl)-5-trifluoro-methyl-isoxazol-4-carbonyl]-pyridine
Alternate Name(s) (2,6-dimethylpyridine-3,5-diyl)bis((3-(4-fluorophenyl)-5-(trifluoromethyl)isoxazol-4-yl)methanone)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H15F8N3O4
InChI InChI=1S/C29H15F8N3O4/c1-12-18(24(41)20-22(14-3-7-16(30)8-4-14)39-43-26(20)28(32,33)34)11-19(13(2)38-12)25(42)21-23(15-5-9-17(31)10-6-15)40-44-27(21)29(35,36)37/h3-11H,1-2H3
InChIKey OAJQQMJHDUZDNN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201300366
Molecular Weight 621.443 g/mol
SMILES c1(C)nc(C)c(C(c2c(C(F)(F)F)onc2-c2ccc(F)cc2)=O)cc1C(c1c(C(F)(F)F)onc1-c1ccc(F)cc1)=O
SPLASH splash10-0udi-3260092000-61d9820acf5e5d57444c
Source of Spectrum CJC-31-951-6e
Wiley ID 1772860