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6-CHLORO-4-HYDROXY-1-[(4-METHOXYPHENYL)-METHYL]-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE
SpectraBase Compound ID 5zuFBeRSU54
InChI InChI=1S/C17H14ClF3N2O3/c1-26-12-5-2-10(3-6-12)9-23-14-7-4-11(18)8-13(14)16(25,17(19,20)21)22-15(23)24/h2-8,25H,9H2,1H3,(H,22,24)
InChIKey DHASYWMOQSIKLI-UHFFFAOYSA-N
Mol Weight 386.76 g/mol
Molecular Formula C17H14ClF3N2O3
Exact Mass 386.064505 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6DDJwPB9RDD
Name 6-CHLORO-4-HYDROXY-1-[(4-METHOXYPHENYL)-METHYL]-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14ClF3N2O3
InChI InChI=1S/C17H14ClF3N2O3/c1-26-12-5-2-10(3-6-12)9-23-14-7-4-11(18)8-13(14)16(25,17(19,20)21)22-15(23)24/h2-8,25H,9H2,1H3,(H,22,24)
InChIKey DHASYWMOQSIKLI-UHFFFAOYSA-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
Molecular Weight 386.758 g/mol
Solvent DMSO-D6
Source File Reference UWLU22726