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N-[oxo-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]amino]methyl]-3-(trifluoromethyl)benzamide
SpectraBase Compound ID I5bPADGP438
InChI InChI=1S/C20H12F6N4O2/c21-19(22,23)13-8-4-7-12(9-13)16(31)29-18(32)30-17-27-14(11-5-2-1-3-6-11)10-15(28-17)20(24,25)26/h1-10H,(H2,27,28,29,30,31,32)
InChIKey JHBORMAQSNPADK-UHFFFAOYSA-N
Mol Weight 454.33 g/mol
Molecular Formula C20H12F6N4O2
Exact Mass 454.086445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJgF9RxuZCm
Name N-[oxo-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]amino]methyl]-3-(trifluoromethyl)benzamide
Alternate Name(s) N-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]-3-(trifluoromethyl)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12F6N4O2
InChI InChI=1S/C20H12F6N4O2/c21-19(22,23)13-8-4-7-12(9-13)16(31)29-18(32)30-17-27-14(11-5-2-1-3-6-11)10-15(28-17)20(24,25)26/h1-10H,(H2,27,28,29,30,31,32)
InChIKey JHBORMAQSNPADK-UHFFFAOYSA-N
Molecular Weight 454.332 g/mol
SMILES N(C(NC(c1cccc(c1)C(F)(F)F)=O)=O)c1nc(cc(n1)-c1ccccc1)C(F)(F)F
SPLASH splash10-0072-3930100000-f7ad9205603ef97f1c27
Wiley ID 1443805