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BENZYL-4-(1-ACETOXY-2,2,2-TRIFLUOROETHYL)-5-CHLOROMETHYL-3-METHYLPYRROLE-2-CARBOXYLATE
SpectraBase Compound ID GR8pPi6mLyz
InChI InChI=1S/C18H17ClF3NO4/c1-10-14(16(18(20,21)22)27-11(2)24)13(8-19)23-15(10)17(25)26-9-12-6-4-3-5-7-12/h3-7,16,23H,8-9H2,1-2H3
InChIKey VCSICDXSTXLRMN-UHFFFAOYSA-N
Mol Weight 403.79 g/mol
Molecular Formula C18H17ClF3NO4
Exact Mass 403.07982 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1c12G5tK0hX
Name BENZYL-4-(1-ACETOXY-2,2,2-TRIFLUOROETHYL)-5-CHLOROMETHYL-3-METHYLPYRROLE-2-CARBOXYLATE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17ClF3NO4
InChI InChI=1S/C18H17ClF3NO4/c1-10-14(16(18(20,21)22)27-11(2)24)13(8-19)23-15(10)17(25)26-9-12-6-4-3-5-7-12/h3-7,16,23H,8-9H2,1-2H3
InChIKey VCSICDXSTXLRMN-UHFFFAOYSA-N
Literature Reference Author C.S.BESHARA,B.M.PEARCE,A.THOMPSON
Literature Reference Citation CAN.J.CHEM.,86,951(2008)
Literature Reference DOI 10.1139/v08-101
Solvent CDCl3
Source File Reference UWMZ46076