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4-(4-CHLOROPHENYL)-4-OXO-2-TRIFLUOROMETHYL-2-BUTENOIC-ACID-(4-BROMOBENZYL)-ESTER
SpectraBase Compound ID 51oqtQoFYzt
InChI InChI=1S/C18H11BrClF3O3/c19-13-5-1-11(2-6-13)10-26-17(25)15(18(21,22)23)9-16(24)12-3-7-14(20)8-4-12/h1-9H,10H2/b15-9+
InChIKey VEZWRYRZDMEZOQ-OQLLNIDSSA-N
Mol Weight 447.64 g/mol
Molecular Formula C18H11BrClF3O3
Exact Mass 445.953219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KXJNyy7vObj
Name 4-(4-CHLOROPHENYL)-4-OXO-2-TRIFLUOROMETHYL-2-BUTENOIC-ACID-(4-BROMOBENZYL)-ESTER
Compound Number 9C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H11BrClF3O3
InChI InChI=1S/C18H11BrClF3O3/c19-13-5-1-11(2-6-13)10-26-17(25)15(18(21,22)23)9-16(24)12-3-7-14(20)8-4-12/h1-9H,10H2/b15-9+
InChIKey VEZWRYRZDMEZOQ-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
Molecular Weight 447.636 g/mol
Solvent CDCl3
Source File Reference UWSI3295