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(2R*,3S*,3AR*)-3A-ETHYL-2-HYDROXY-3-METHYL-2-(TRIFLUOROMETHYL)-3,3A,4,9-TETRAHYDROPYRROLO-[2,1-B]-QUINAZOLIN-1(2H)-ONE
SpectraBase Compound ID 6JempZodxfn
InChI InChI=1S/C15H17F3N2O2/c1-3-13-9(2)14(22,15(16,17)18)12(21)20(13)8-10-6-4-5-7-11(10)19-13/h4-7,9,19,22H,3,8H2,1-2H3/t9-,13+,14+/m0/s1
InChIKey CXCLQQIGKXHGBK-CUOATXAZSA-N
Mol Weight 314.31 g/mol
Molecular Formula C15H17F3N2O2
Exact Mass 314.124212 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID yyLfWZBRTE
Name (2R*,3S*,3AR*)-3A-ETHYL-2-HYDROXY-3-METHYL-2-(TRIFLUOROMETHYL)-3,3A,4,9-TETRAHYDROPYRROLO-[2,1-B]-QUINAZOLIN-1(2H)-ONE
Compound Number 4D(CIS-CIS)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H17F3N2O2
InChI InChI=1S/C15H17F3N2O2/c1-3-13-9(2)14(22,15(16,17)18)12(21)20(13)8-10-6-4-5-7-11(10)19-13/h4-7,9,19,22H,3,8H2,1-2H3/t9-,13+,14+/m0/s1
InChIKey CXCLQQIGKXHGBK-CUOATXAZSA-N
Literature Reference Author B.DOLENSKY,J.KVICALA,O.PALETA,J.LANG,H.DVORAKOVA,J.CEJKA
Literature Reference Citation MAGN.RES.CHEM.,48,375(2010)
Solvent CDCl3
Source File Reference UWIR16513