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Pyrimidin-4-one, hexahydro-1-(3-trifluoromethylphenyl)-6-phenyl-2-thioxo-

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Pyrimidin-4-one, hexahydro-1-(3-trifluoromethylphenyl)-6-phenyl-2-thioxo-
SpectraBase Compound ID IMZwUDRZG3K
InChI InChI=1S/C17H13F3N2OS/c18-17(19,20)12-7-4-8-13(9-12)22-14(10-15(23)21-16(22)24)11-5-2-1-3-6-11/h1-9,14H,10H2,(H,21,23,24)
InChIKey RKMXSXWZBZNLPE-UHFFFAOYSA-N
Mol Weight 350.36 g/mol
Molecular Formula C17H13F3N2OS
Exact Mass 350.070069 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B1iyFZ6fwuF
Name Pyrimidin-4-one, hexahydro-1-(3-trifluoromethylphenyl)-6-phenyl-2-thioxo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.070068709 u
Formula C17H13F3N2OS
InChI InChI=1S/C17H13F3N2OS/c18-17(19,20)12-7-4-8-13(9-12)22-14(10-15(23)21-16(22)24)11-5-2-1-3-6-11/h1-9,14H,10H2,(H,21,23,24)
InChIKey RKMXSXWZBZNLPE-UHFFFAOYSA-N
Molecular Weight 350.359 g/mol
SMILES C1(N(C(CC(N1)=O)C1=CC=CC=C1)C1=CC(C(F)(F)F)=CC=C1)=S