For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-[(1R)-1-PHENYLETHYL]-(4S)-6-CHLORO-4-(2-CYCLOPROPYLETHYNYL)-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE

Compound with spectra: 4 NMR

3-[(1R)-1-PHENYLETHYL]-(4S)-6-CHLORO-4-(2-CYCLOPROPYLETHYNYL)-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE
SpectraBase Compound ID 5IfzsploKPo
InChI InChI=1S/C22H18ClF3N2O/c1-14(16-5-3-2-4-6-16)28-20(29)27-19-10-9-17(23)13-18(19)21(28,22(24,25)26)12-11-15-7-8-15/h2-6,9-10,13-15H,7-8H2,1H3,(H,27,29)/t14-,21+/m1/s1
InChIKey NERJGCYSHKKSOW-SZNDQCEHSA-N
Mol Weight 418.85 g/mol
Molecular Formula C22H18ClF3N2O
Exact Mass 418.105975 g/mol
Enantiomer InChIKey NERJGCYSHKKSOW-LHSJRXKWSA-N

View Spectrum of 3-[(1R)-1-PHENYLETHYL]-(4S)-6-CHLORO-4-(2-CYCLOPROPYLETHYNYL)-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE

19F NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 3-[(1R)-1-PHENYLETHYL]-(4S)-6-CHLORO-4-(2-CYCLOPROPYLETHYNYL)-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE

19F NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of 3-[(1R)-1-PHENYLETHYL]-(4S)-6-CHLORO-4-(2-CYCLOPROPYLETHYNYL)-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 3-[(1R)-1-PHENYLETHYL]-(4S)-6-CHLORO-4-(2-CYCLOPROPYLETHYNYL)-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
3-[(1R)-1-PHENYLETHYL]-6-CHLORO-4-BENZYL-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE
3-[(1R)-1-PHENYLETHYL]-6-CHLORO-4-PHENYL-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE
3-[(1R)-1-PHENYLETHYL]-6-CHLORO-4-METHOXY-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE
7-(3-nitrophenyl)-1-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
6β-Hydroxyprogesterone acetate
FPXREKMMXJTSPE-DAAWPIGBSA-N
FPXREKMMXJTSPE-UMDUWMTGSA-N
7-(2-Fluorophenyl)-1-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
ENT-8,9-SECO-8,14-EPOXY-7-ALPHA-HYDROXY-11-BETA-ACETOXY-16-KAUREN-9,15-DIONE
1,2-DIHYDRO-3,3-DIMETHYL-3H-BENZO-[A]-PYRANO-[2,3-C]-PYRIDO-[3,2-B]-QUINOXALINE
Title Journal or Book Year
General Scope of 1,4-Diastereoselective Additions to a 2(3H)-Quinazolinone:  Practical Preparation of HIV Therapeutics The Journal of Organic Chemistry 2002
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.