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2,6-bis(fluoranyl)-N-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide
SpectraBase Compound ID G7JAhXwCFWV
InChI InChI=1S/C19H11F5N4O2/c20-11-7-4-8-12(21)15(11)16(29)27-18(30)28-17-25-13(10-5-2-1-3-6-10)9-14(26-17)19(22,23)24/h1-9H,(H2,25,26,27,28,29,30)
InChIKey RRYGEBLQMMZKFN-UHFFFAOYSA-N
Mol Weight 422.32 g/mol
Molecular Formula C19H11F5N4O2
Exact Mass 422.080216 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2YxA4EG1WQP
Name 2,6-bis(Fluoranyl)-N-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.080216423 u
Formula C19H11F5N4O2
InChI InChI=1S/C19H11F5N4O2/c20-11-7-4-8-12(21)15(11)16(29)27-18(30)28-17-25-13(10-5-2-1-3-6-10)9-14(26-17)19(22,23)24/h1-9H,(H2,25,26,27,28,29,30)
InChIKey RRYGEBLQMMZKFN-UHFFFAOYSA-N
Molecular Weight 422.315 g/mol
SMILES C=1(C=CC=CC1)C=1N=C(NC(NC(C2=C(C=CC=C2F)F)=O)=O)N=C(C1)C(F)(F)F