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

*Links on SpectraBase are not permalinks.

3-[(1R)-1-PHENYLETHYL]-6-CHLORO-4-(TRIFLUOROMETHYL)-3-HYDROQUINAZOLIN-2-ONE

Compound with spectra: 2 NMR

3-[(1R)-1-PHENYLETHYL]-6-CHLORO-4-(TRIFLUOROMETHYL)-3-HYDROQUINAZOLIN-2-ONE
SpectraBase Compound ID CtNvsOJEiPb
InChI InChI=1S/C17H12ClF3N2O.C6H15N.CHF3O3S/c1-10(11-5-3-2-4-6-11)23-15(17(19,20)21)13-9-12(18)7-8-14(13)22-16(23)24;1-4-7(5-2)6-3;2-1(3,4)8(5,6)7/h2-10H,1H3;4-6H2,1-3H3;(H,5,6,7)/t10-;;/m1../s1
InChIKey ATIADWZPZFCOFR-YQFADDPSSA-N
Mol Weight 604.01 g/mol
Molecular Formula C24H28ClF6N3O4S
Exact Mass 603.139324 g/mol
Parent InChIKey AELCTCZJKWGNDB-SNVBAGLBSA-N
Enantiomer InChIKey ATIADWZPZFCOFR-XRIOVQLTSA-N
Racemate InChIKey ATIADWZPZFCOFR-UHFFFAOYSA-N

View Spectrum of 3-[(1R)-1-PHENYLETHYL]-6-CHLORO-4-(TRIFLUOROMETHYL)-3-HYDROQUINAZOLIN-2-ONE

19F NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD2Cl2

View Spectrum of 3-[(1R)-1-PHENYLETHYL]-6-CHLORO-4-(TRIFLUOROMETHYL)-3-HYDROQUINAZOLIN-2-ONE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD2Cl2
4-[(1-(2-{[2-(1-cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)methyl]-N-(2-phenylethyl)cyclohexanecarboxamide
4-[(1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)methyl]-N-(2-phenylethyl)cyclohexanecarboxamide
1-ACETYL-2-PHENYL-3-TERT.-BUTOXYCARBONYLAMINO-METHYLCARBONYL-AMINO-4-BENZOYL-1,2-DIHYDROPYRIDINE
1,3-diethyl-N-(2-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6-quinazolinesulfonamide
8-Ethoxy-2,2-bis(trifluoromethyl)-2,3-dihydro-4H-[1,3,5]triazino[2,1-b][1,3]benzothiazol-4-one
7-Nitro-2,2-bis-trifluoromethyl-2,3-dihydro-9-thia-1,3,4a-triaza-fluoren-4-one
Methyl 6a-cyano-1,3-dimethyl-2,4-dioxo-4a,5,6,6a-tetrahydrocyclobutapyrimidine-6-carboxylate
2,3:4,5-Bis-O-isopropylidene-.beta.-d-fructopyranose N-phenylcarbamate
1-(3-Methylphenyl)-3-[(3-methylphenyl)amino]-5,6-dihydro-4H-indol-2-one
9-Methoxy-2',2',7-trimethylspiro[benzo[7]annulene-6,1'-cyclopropan]-5(7H)-one
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.