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1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
SpectraBase Compound ID 5wunHrb3sB8
InChI InChI=1S/C23H15F9N4O2/c24-21(25,26)12-3-1-5-14(9-12)33-19(37)35-16-7-8-18(17(11-16)23(30,31)32)36-20(38)34-15-6-2-4-13(10-15)22(27,28)29/h1-11H,(H2,33,35,37)(H2,34,36,38)
InChIKey QEMFXUAIKFRDHX-UHFFFAOYSA-N
Mol Weight 550.38 g/mol
Molecular Formula C23H15F9N4O2
Exact Mass 550.105129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAoVsKHDM7T
Name 1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
Alternate Name(s) 1-[4-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]-2-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H15F9N4O2
InChI InChI=1S/C23H15F9N4O2/c24-21(25,26)12-3-1-5-14(9-12)33-19(37)35-16-7-8-18(17(11-16)23(30,31)32)36-20(38)34-15-6-2-4-13(10-15)22(27,28)29/h1-11H,(H2,33,35,37)(H2,34,36,38)
InChIKey QEMFXUAIKFRDHX-UHFFFAOYSA-N
Molecular Weight 550.385 g/mol
SMILES N(c1ccc(cc1C(F)(F)F)NC(=O)Nc1cc(ccc1)C(F)(F)F)C(=O)Nc1cc(ccc1)C(F)(F)F
SPLASH splash10-01t9-4900000000-9176ac1a374b0b4223bf
Wiley ID 1466977