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4-(4-BROMOPHENYL)-4-OXO-2-TRIFLUOROMETHYL-2-BUTENOIC-ACID-(4-CHLOROBENZYL)-ESTER
SpectraBase Compound ID 5P0nXdzzDbu
InChI InChI=1S/C18H11BrClF3O3/c19-13-5-3-12(4-6-13)16(24)9-15(18(21,22)23)17(25)26-10-11-1-7-14(20)8-2-11/h1-9H,10H2/b15-9+
InChIKey QFTZWXCUOMFTRH-OQLLNIDSSA-N
Mol Weight 447.64 g/mol
Molecular Formula C18H11BrClF3O3
Exact Mass 445.953219 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0fxx5QRZkJ
Name 4-(4-BROMOPHENYL)-4-OXO-2-TRIFLUOROMETHYL-2-BUTENOIC-ACID-(4-CHLOROBENZYL)-ESTER
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H11BrClF3O3
InChI InChI=1S/C18H11BrClF3O3/c19-13-5-3-12(4-6-13)16(24)9-15(18(21,22)23)17(25)26-10-11-1-7-14(20)8-2-11/h1-9H,10H2/b15-9+
InChIKey QFTZWXCUOMFTRH-OQLLNIDSSA-N
Literature Reference Author K.BURGER,A.FUCHS,L.HENNIG,B.HELMREICH,D.GREIF
Literature Reference Citation MH.CHEM.,132,929(2001)
Literature Reference DOI 10.1007/s007060170056
Solvent CDCl3
Source File Reference UWSI3294