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

View entire compound with spectra: 1 MS (GC)

2,6-Dimethyl-3,5-bis[3-(4-methoxy-phenyl)-5-trifluoromethyl-isoxazol-4-carbonyl]-pyridine
SpectraBase Compound ID 1cbUwlfKAYJ
InChI InChI=1S/C31H21F6N3O6/c1-14-20(26(41)22-24(39-45-28(22)30(32,33)34)16-5-9-18(43-3)10-6-16)13-21(15(2)38-14)27(42)23-25(40-46-29(23)31(35,36)37)17-7-11-19(44-4)12-8-17/h5-13H,1-4H3
InChIKey OCMDBDSAIGFPSW-UHFFFAOYSA-N
Mol Weight 645.51 g/mol
Molecular Formula C31H21F6N3O6
Exact Mass 645.133454 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JP8oH1vZZGm
Name 2,6-Dimethyl-3,5-bis[3-(4-methoxy-phenyl)-5-trifluoromethyl-isoxazol-4-carbonyl]-pyridine
Alternate Name(s) (2,6-dimethylpyridine-3,5-diyl)bis((3-(4-methoxyphenyl)-5-(trifluoromethyl)isoxazol-4-yl)methanone)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H21F6N3O6
InChI InChI=1S/C31H21F6N3O6/c1-14-20(26(41)22-24(39-45-28(22)30(32,33)34)16-5-9-18(43-3)10-6-16)13-21(15(2)38-14)27(42)23-25(40-46-29(23)31(35,36)37)17-7-11-19(44-4)12-8-17/h5-13H,1-4H3
InChIKey OCMDBDSAIGFPSW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201300366
Molecular Weight 645.514 g/mol
SMILES c1(nc(C)c(C(c2c(C(F)(F)F)onc2-c2ccc(OC)cc2)=O)cc1C(c1c(C(F)(F)F)onc1-c1ccc(OC)cc1)=O)C
SPLASH splash10-0002-1121009000-ae0857904463055ff067
Source of Spectrum CJC-31-951-6g
Wiley ID 1772862