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1-(3,5-bis-Trifluoromethyl-phenyl)-3-(3,4-dimethoxy-phenyl)-urea

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 MS (GC)

1-(3,5-bis-Trifluoromethyl-phenyl)-3-(3,4-dimethoxy-phenyl)-urea
SpectraBase Compound ID JB82gPt9QyO
InChI InChI=1S/C17H14F6N2O3/c1-27-13-4-3-11(8-14(13)28-2)24-15(26)25-12-6-9(16(18,19)20)5-10(7-12)17(21,22)23/h3-8H,1-2H3,(H2,24,25,26)
InChIKey XAWMXXPXYXXPEW-UHFFFAOYSA-N
Mol Weight 408.3 g/mol
Molecular Formula C17H14F6N2O3
Exact Mass 408.090861 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EfhNnkxRYTK
Name 1-(3,5-bis-Trifluoromethyl-phenyl)-3-(3,4-dimethoxy-phenyl)-urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.090861294 u
Formula C17H14F6N2O3
InChI InChI=1S/C17H14F6N2O3/c1-27-13-4-3-11(8-14(13)28-2)24-15(26)25-12-6-9(16(18,19)20)5-10(7-12)17(21,22)23/h3-8H,1-2H3,(H2,24,25,26)
InChIKey XAWMXXPXYXXPEW-UHFFFAOYSA-N
Molecular Weight 408.300 g/mol
SMILES C(C=1C=C(C(F)(F)F)C=C(C1)NC(NC1=CC(OC)=C(C=C1)OC)=O)(F)(F)F