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N-(ALPHA-TRIFLUOROMETHYL-4-METHYLBENZYLIDENE)-N'-(2,4,6-TRIMETHYLPHENYL)-N'-(4-BROMOBENZOYL)UREA
SpectraBase Compound ID AXwOo97TC7b
InChI InChI=1S/C26H22BrF3N2O2/c1-15-5-7-19(8-6-15)23(26(28,29)30)31-25(34)32(22-17(3)13-16(2)14-18(22)4)24(33)20-9-11-21(27)12-10-20/h5-14H,1-4H3/b31-23-
InChIKey FQVNQDOWEAKDKN-SXBRIOAWSA-N
Mol Weight 531.37 g/mol
Molecular Formula C26H22BrF3N2O2
Exact Mass 530.081675 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FA0nr5yPvcK
Name N-(ALPHA-TRIFLUOROMETHYL-4-METHYLBENZYLIDENE)-N'-(2,4,6-TRIMETHYLPHENYL)-N'-(4-BROMOBENZOYL)UREA
Comments SCALE INVERTED;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C26H22BrF3N2O2
InChI InChI=1S/C26H22BrF3N2O2/c1-15-5-7-19(8-6-15)23(26(28,29)30)31-25(34)32(22-17(3)13-16(2)14-18(22)4)24(33)20-9-11-21(27)12-10-20/h5-14H,1-4H3/b31-23-
InChIKey FQVNQDOWEAKDKN-SXBRIOAWSA-N
Instrument Name SEE COMMENT
Literature Reference M.V.VOVK, V.I.DOROKHOV, V.V.PIROZHENKO, L.I.SAMARAI (1989)Zhurn.Org.Khim.(Russ. Lang.): v.25, N8, 1634-1637.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6