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

View entire compound with spectra: 1 MS (GC)

2,6-Dimethyl-3,5-bis[3-(4-nitro-phenyl)-5-trifluoro-methyl-isoxazol-4-carbonyl]-pyridine
SpectraBase Compound ID 6enhvKJ9iki
InChI InChI=1S/C29H15F6N5O8/c1-12-18(24(41)20-22(37-47-26(20)28(30,31)32)14-3-7-16(8-4-14)39(43)44)11-19(13(2)36-12)25(42)21-23(38-48-27(21)29(33,34)35)15-5-9-17(10-6-15)40(45)46/h3-11H,1-2H3
InChIKey OITPCOBGAUQEMN-UHFFFAOYSA-N
Mol Weight 675.46 g/mol
Molecular Formula C29H15F6N5O8
Exact Mass 675.082481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9p4KuydXBBa
Name 2,6-Dimethyl-3,5-bis[3-(4-nitro-phenyl)-5-trifluoro-methyl-isoxazol-4-carbonyl]-pyridine
Alternate Name(s) (2,6-dimethylpyridine-3,5-diyl)bis((3-(4-nitrophenyl)-5-(trifluoromethyl)isoxazol-4-yl)methanone)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H15F6N5O8
InChI InChI=1S/C29H15F6N5O8/c1-12-18(24(41)20-22(37-47-26(20)28(30,31)32)14-3-7-16(8-4-14)39(43)44)11-19(13(2)36-12)25(42)21-23(38-48-27(21)29(33,34)35)15-5-9-17(10-6-15)40(45)46/h3-11H,1-2H3
InChIKey OITPCOBGAUQEMN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201300366
Molecular Weight 675.456 g/mol
SMILES c1(c(C(=O)c2c(-c3ccc([N+](=O)[O-])cc3)noc2C(F)(F)F)cc(C(=O)c2c(-c3ccc([N+](=O)[O-])cc3)noc2C(F)(F)F)c(C)n1)C
SPLASH splash10-0a4i-1010009000-9d826e187cbfd14919b8
Source of Spectrum CJC-31-951-6a
Wiley ID 1772856