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1-tert-butyl-3,4-bis(trifluoromethyl)pyrrole-2-carboxylic acid methyl ester

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1-tert-butyl-3,4-bis(trifluoromethyl)pyrrole-2-carboxylic acid methyl ester
SpectraBase Compound ID BKfkMf28J2G
InChI InChI=1S/C12H13F6NO2/c1-10(2,3)19-5-6(11(13,14)15)7(12(16,17)18)8(19)9(20)21-4/h5H,1-4H3
InChIKey BLEPSRSNSDMYMG-UHFFFAOYSA-N
Mol Weight 317.23 g/mol
Molecular Formula C12H13F6NO2
Exact Mass 317.085048 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FkX2fBUir7o
Name 1-tert-butyl-3,4-bis(trifluoromethyl)pyrrole-2-carboxylic acid methyl ester
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13F6NO2
InChI InChI=1S/C12H13F6NO2/c1-10(2,3)19-5-6(11(13,14)15)7(12(16,17)18)8(19)9(20)21-4/h5H,1-4H3
InChIKey BLEPSRSNSDMYMG-UHFFFAOYSA-N
Literature Reference Author J.LEROY,C.WAKSELMAN
Literature Reference Citation CAN.J.CHEM.,54,218(1976)
Literature Reference DOI 10.1139/v76-034
Solvent CDCl3
Source File Reference UWED14208