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2-Phthalazinepropanamide, 1,2-dihydro-4-(4-methylphenyl)-1-oxo-N-[4-(trifluoromethoxy)phenyl]-
SpectraBase Compound ID CSLg8mD040k
InChI InChI=1S/C25H20F3N3O3/c1-16-6-8-17(9-7-16)23-20-4-2-3-5-21(20)24(33)31(30-23)15-14-22(32)29-18-10-12-19(13-11-18)34-25(26,27)28/h2-13H,14-15H2,1H3,(H,29,32)
InChIKey ZOXKWLOCMOXFNO-UHFFFAOYSA-N
Mol Weight 467.45 g/mol
Molecular Formula C25H20F3N3O3
Exact Mass 467.145676 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CKDT8qONKHw
Name 2-Phthalazinepropanamide, 1,2-dihydro-4-(4-methylphenyl)-1-oxo-N-[4-(trifluoromethoxy)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.145676002 u
Formula C25H20F3N3O3
InChI InChI=1S/C25H20F3N3O3/c1-16-6-8-17(9-7-16)23-20-4-2-3-5-21(20)24(33)31(30-23)15-14-22(32)29-18-10-12-19(13-11-18)34-25(26,27)28/h2-13H,14-15H2,1H3,(H,29,32)
InChIKey ZOXKWLOCMOXFNO-UHFFFAOYSA-N
Molecular Weight 467.448 g/mol
SMILES C=1C=CC2=C(C(=NN(C2=O)CCC(NC2=CC=C(OC(F)(F)F)C=C2)=O)C=2C=CC(=CC2)C)C1