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2,6-Dimethyl-3,5-bis[3-(4-cyano-phenyl)-5-trifluoro-methyl-isoxazol-4-carbonyl]-pyridine
SpectraBase Compound ID IpL8syfsTLz
InChI InChI=1S/C31H15F6N5O4/c1-14-20(26(43)22-24(41-45-28(22)30(32,33)34)18-7-3-16(12-38)4-8-18)11-21(15(2)40-14)27(44)23-25(42-46-29(23)31(35,36)37)19-9-5-17(13-39)6-10-19/h3-11H,1-2H3
InChIKey QNHDSSWFBVGJPJ-UHFFFAOYSA-N
Mol Weight 635.48 g/mol
Molecular Formula C31H15F6N5O4
Exact Mass 635.102823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIHFEyNnP0h
Name 2,6-Dimethyl-3,5-bis[3-(4-cyano-phenyl)-5-trifluoro-methyl-isoxazol-4-carbonyl]-pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H15F6N5O4
InChI InChI=1S/C31H15F6N5O4/c1-14-20(26(43)22-24(41-45-28(22)30(32,33)34)18-7-3-16(12-38)4-8-18)11-21(15(2)40-14)27(44)23-25(42-46-29(23)31(35,36)37)19-9-5-17(13-39)6-10-19/h3-11H,1-2H3
InChIKey QNHDSSWFBVGJPJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201300366
Molecular Weight 635.482 g/mol
SMILES c1(c(cc(c(n1)C)C(=O)c1c(noc1C(F)(F)F)-c1ccc(C#N)cc1)C(c1c(onc1-c1ccc(cc1)C#N)C(F)(F)F)=O)C
SPLASH splash10-014i-0560094000-82816e509ede4a3efe2e
Source of Spectrum CJC-31-951-6b
Synonyms 4,4'-(4,4'-(2,6-dimethylpyridine-3,5-dicarbonyl)bis(5-(trifluoromethyl)isoxazole-4,3-diyl))dibenzonitrile
Wiley ID 1772857