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DIBENZYL-2-[2,2-BIS-(TRIFLUOROMETHYLSULFONYL)-ETHYL]-MALONATE
SpectraBase Compound ID DeWeOeDWM85
InChI InChI=1S/C21H18F6O8S2/c22-20(23,24)36(30,31)17(37(32,33)21(25,26)27)11-16(18(28)34-12-14-7-3-1-4-8-14)19(29)35-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2
InChIKey QSMZXZZKLCPTIU-UHFFFAOYSA-N
Mol Weight 576.48 g/mol
Molecular Formula C21H18F6O8S2
Exact Mass 576.034729 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LnTxmwCpvts
Name DIBENZYL-2-[2,2-BIS-(TRIFLUOROMETHYLSULFONYL)-ETHYL]-MALONATE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18F6O8S2
InChI InChI=1S/C21H18F6O8S2/c22-20(23,24)36(30,31)17(37(32,33)21(25,26)27)11-16(18(28)34-12-14-7-3-1-4-8-14)19(29)35-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2
InChIKey QSMZXZZKLCPTIU-UHFFFAOYSA-N
Literature Reference Author H.YANAI,M.FUJITA,A.TAKAHASHI,M.ZHANG,M.MISHIMA,A.KOTANI,T.MA TSUMOTO,T.TAGUCHI
Literature Reference Citation MOLECULES,18,15531(2013)
Literature Reference DOI 10.3390/molecules181215531
Solvent CDCl3
Source File Reference UWIR9997