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TRIFLUOROMETHANESULFONIC-ACID-METHYLIDYNETRI-4,1-PHENYLENEESTER
SpectraBase Compound ID 9V7qnueWv6f
InChI InChI=1S/C22H13F9O9S3/c23-20(24,25)41(32,33)38-16-7-1-13(2-8-16)19(14-3-9-17(10-4-14)39-42(34,35)21(26,27)28)15-5-11-18(12-6-15)40-43(36,37)22(29,30)31/h1-12,19H
InChIKey AQTBICZCCPBPRC-UHFFFAOYSA-N
Mol Weight 688.5 g/mol
Molecular Formula C22H13F9O9S3
Exact Mass 687.957799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1EiulEyb5Fp
Name TRIFLUOROMETHANESULFONIC-ACID-METHYLIDYNETRI-4,1-PHENYLENEESTER
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H13F9O9S3
InChI InChI=1S/C22H13F9O9S3/c23-20(24,25)41(32,33)38-16-7-1-13(2-8-16)19(14-3-9-17(10-4-14)39-42(34,35)21(26,27)28)15-5-11-18(12-6-15)40-43(36,37)22(29,30)31/h1-12,19H
InChIKey AQTBICZCCPBPRC-UHFFFAOYSA-N
Literature Reference Author C.A.PAPAMICAEL,O.MONGIN,A.GOSSAUER
Literature Reference Citation MH.CHEM.,138,791(2007)
Literature Reference DOI 10.1007/s00706-007-0629-y
Molecular Weight 688.505 g/mol
Sample ID 68579
Solvent CDCl3