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2,6-bis(fluoranyl)-N-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide

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2,6-bis(fluoranyl)-N-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide
SpectraBase Compound ID Al877fjFsgw
InChI InChI=1S/C17H9F5N4O2S/c18-8-3-1-4-9(19)13(8)14(27)25-16(28)26-15-23-10(11-5-2-6-29-11)7-12(24-15)17(20,21)22/h1-7H,(H2,23,24,25,26,27,28)
InChIKey XYCUQHZMALENIT-UHFFFAOYSA-N
Mol Weight 428.34 g/mol
Molecular Formula C17H9F5N4O2S
Exact Mass 428.036638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4TpHPZ57Rut
Name 2,6-bis(Fluoranyl)-N-[[4-thiophen-2-yl-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 428.036637533 u
Formula C17H9F5N4O2S
InChI InChI=1S/C17H9F5N4O2S/c18-8-3-1-4-9(19)13(8)14(27)25-16(28)26-15-23-10(11-5-2-6-29-11)7-12(24-15)17(20,21)22/h1-7H,(H2,23,24,25,26,27,28)
InChIKey XYCUQHZMALENIT-UHFFFAOYSA-N
Molecular Weight 428.337 g/mol
SMILES C(C=1C=C(N=C(N1)NC(NC(C1=C(C=CC=C1F)F)=O)=O)C1=CC=CS1)(F)(F)F