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

View entire compound with spectra: 1 MS (GC)

2,6-Dimethyl-3,5-bis[3-(4-methyl-phenyl)-5-trifluoromethyl-isoxazol-4-carbonyl]-pyridine
SpectraBase Compound ID 6m07km2qcUK
InChI InChI=1S/C31H21F6N3O4/c1-14-5-9-18(10-6-14)24-22(28(43-39-24)30(32,33)34)26(41)20-13-21(17(4)38-16(20)3)27(42)23-25(19-11-7-15(2)8-12-19)40-44-29(23)31(35,36)37/h5-13H,1-4H3
InChIKey GMVLMPGLVSGYDQ-UHFFFAOYSA-N
Mol Weight 613.52 g/mol
Molecular Formula C31H21F6N3O4
Exact Mass 613.143625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXMOdY9hdxF
Name 2,6-Dimethyl-3,5-bis[3-(4-methyl-phenyl)-5-trifluoromethyl-isoxazol-4-carbonyl]-pyridine
Alternate Name(s) (2,6-dimethylpyridine-3,5-diyl)bis((3-(p-tolyl)-5-(trifluoromethyl)isoxazol-4-yl)methanone)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H21F6N3O4
InChI InChI=1S/C31H21F6N3O4/c1-14-5-9-18(10-6-14)24-22(28(43-39-24)30(32,33)34)26(41)20-13-21(17(4)38-16(20)3)27(42)23-25(19-11-7-15(2)8-12-19)40-44-29(23)31(35,36)37/h5-13H,1-4H3
InChIKey GMVLMPGLVSGYDQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201300366
Molecular Weight 613.516 g/mol
SMILES c1(C)nc(C)c(C(c2c(C(F)(F)F)onc2-c2ccc(C)cc2)=O)cc1C(c1c(C(F)(F)F)onc1-c1ccc(C)cc1)=O
SPLASH splash10-0gvo-7070069000-bb1887201bd22bb0b808
Source of Spectrum CJC-31-951-6f
Wiley ID 1772861