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N'-[2-(Diphenylhydroxymethyl)-4-trifluoromethylphenyl]-N,N-dimethylurea
SpectraBase Compound ID 5pxDoN9S0ZA
InChI InChI=1S/C23H21F3N2O2/c1-28(2)21(29)27-20-14-13-18(23(24,25)26)15-19(20)22(30,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,30H,1-2H3,(H,27,29)
InChIKey AMFMAGAOEYRIQN-UHFFFAOYSA-N
Mol Weight 414.43 g/mol
Molecular Formula C23H21F3N2O2
Exact Mass 414.155512 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3vgsOraK2CE
Name N'-[2-(DIPHENYLHYDROXYMETHYL)-4-TRIFLUOROMETHYLPHENYL]-N,N-DIMETHYLUREA
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H21F3N2O2
InChI InChI=1S/C23H21F3N2O2/c1-28(2)21(29)27-20-14-13-18(23(24,25)26)15-19(20)22(30,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,30H,1-2H3,(H,27,29)
InChIKey AMFMAGAOEYRIQN-UHFFFAOYSA-N
Literature Reference Author K.SMITH,G.A.EL-HITI,A.P.SHUKLA
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2305(1999)
Literature Reference DOI 10.1039/a903464a
Molecular Weight 414.427 g/mol
Solvent DMSO-D6
Source File Reference UWGE3562