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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

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BQ2BEArxKQ0
Name 3-[(1R)-1-PHENYLETHYL]-6-CHLORO-4-(TRIFLUOROMETHYL)-3-HYDROQUINAZOLIN-2-ONE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H28ClF6N3O4S
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
Literature Reference Author N.A.MAGNUS,P.N.CONFALONE,L.STORACE,M.PATEL,C.C.WOOD,W.P.DAVI S,R.L.PARSONS
Literature Reference Citation J.ORG.CHEM.,68,754(2003)
Literature Reference DOI 10.1021/jo0263162
Solvent CD2Cl2
Source File Reference UWLU22732