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1,4-ditert-butyl-2-(1,1,2,2,3,3,3-heptafluoropropyl)cyclopenta-2,4-diene-1-carboxylic acid trifluoromethyl ester
SpectraBase Compound ID 339Msn2LzFT
InChI InChI=1S/C18H20F10O2/c1-12(2,3)9-7-10(15(19,20)16(21,22)17(23,24)25)14(8-9,13(4,5)6)11(29)30-18(26,27)28/h7-8H,1-6H3
InChIKey RFXJDLHELQKROU-UHFFFAOYSA-N
Mol Weight 458.34 g/mol
Molecular Formula C18H20F10O2
Exact Mass 458.130362 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6pDucTDwZ1g
Name 1,4-ditert-butyl-2-(1,1,2,2,3,3,3-heptafluoropropyl)cyclopenta-2,4-diene-1-carboxylic acid trifluoromethyl ester
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20F10O2
InChI InChI=1S/C18H20F10O2/c1-12(2,3)9-7-10(15(19,20)16(21,22)17(23,24)25)14(8-9,13(4,5)6)11(29)30-18(26,27)28/h7-8H,1-6H3
InChIKey RFXJDLHELQKROU-UHFFFAOYSA-N
Literature Reference Author A.D.ALLEN,T.T.TIDWELL
Literature Reference Citation J.ORG.CHEM.,66,7696(2001)
Literature Reference DOI 10.1021/jo010562g
Molecular Weight 458.340 g/mol
Solvent CDCl3
Source File Reference UWVN25857