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1-Benzoyl-(2S)-isopropyl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-4(1H)-pyrimidin-4-one
SpectraBase Compound ID IzWJFltyDM8
InChI InChI=1S/C21H19F3N2O2/c1-13(2)18-25-19(27)17(14-8-10-16(11-9-14)21(22,23)24)12-26(18)20(28)15-6-4-3-5-7-15/h3-13,18H,1-2H3,(H,25,27)/t18-/m0/s1
InChIKey KXNYBGKJVAELDG-SFHVURJKSA-N
Mol Weight 388.39 g/mol
Molecular Formula C21H19F3N2O2
Exact Mass 388.139862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZjVl4Ovs3Z
Name 1-Benzoyl-(2S)-isopropyl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-4(1H)-pyrimidin-4-one
Alternate Name(s) (2S)-3-benzoyl-2-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-6-one (2S)-3-(phenylcarbonyl)-2-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19F3N2O2
InChI InChI=1S/C21H19F3N2O2/c1-13(2)18-25-19(27)17(14-8-10-16(11-9-14)21(22,23)24)12-26(18)20(28)15-6-4-3-5-7-15/h3-13,18H,1-2H3,(H,25,27)/t18-/m0/s1
InChIKey KXNYBGKJVAELDG-SFHVURJKSA-N
Molecular Weight 388.390 g/mol
SMILES N1C(C(=CN([C@]1(C(C)C)[H])C(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1)=O
SPLASH splash10-0a4i-3900000000-7ad22896ee7deff61ead
Source of Spectrum U1-2010-6398-5e
Wiley ID 1664613