For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1,1-Dimethyl-3-(6-benzyl-2-(2,2,2-trifluoroethyl)phenyl)urea

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

1,1-Dimethyl-3-(6-benzyl-2-(2,2,2-trifluoroethyl)phenyl)urea
SpectraBase Compound ID I3993wwx0qJ
InChI InChI=1S/C18H19F3N2O/c1-23(2)17(24)22-16-14(11-13-7-4-3-5-8-13)9-6-10-15(16)12-18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKey PMIXZQRWLCTVAF-UHFFFAOYSA-N
Mol Weight 336.36 g/mol
Molecular Formula C18H19F3N2O
Exact Mass 336.144948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3jJuinwcA29
Name 1,1-Dimethyl-3-(6-benzyl-2-(2,2,2-trifluoroethyl)phenyl)urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.144947728 u
Formula C18H19F3N2O
InChI InChI=1S/C18H19F3N2O/c1-23(2)17(24)22-16-14(11-13-7-4-3-5-8-13)9-6-10-15(16)12-18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKey PMIXZQRWLCTVAF-UHFFFAOYSA-N
Molecular Weight 336.358 g/mol
SMILES C(N(C)C)(=O)NC=1C(=CC=CC1CC=1C=CC=CC1)CC(F)(F)F