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2,4-ditert-butyl-1-(trideuteriomethyl)cyclopenta-2,4-diene-1-carboxylic acid trifluoromethyl ester
SpectraBase Compound ID 2EopCVaXbi
InChI InChI=1S/C16H23F3O2/c1-13(2,3)10-8-11(14(4,5)6)15(7,9-10)12(20)21-16(17,18)19/h8-9H,1-7H3/i7D3
InChIKey JALYHTWLLLLPHF-UKDQJQFQSA-N
Mol Weight 307.37 g/mol
Molecular Formula C16H202H3F3O2
Exact Mass 307.183845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fm3Pd0xch7D
Name 2,4-ditert-butyl-1-(trideuteriomethyl)cyclopenta-2,4-diene-1-carboxylic acid trifluoromethyl ester
Compound Number 5-CD-(3)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H202H3F3O2
InChI InChI=1S/C16H23F3O2/c1-13(2,3)10-8-11(14(4,5)6)15(7,9-10)12(20)21-16(17,18)19/h8-9H,1-7H3/i7D3
InChIKey JALYHTWLLLLPHF-UKDQJQFQSA-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 307.371 g/mol
Solvent CDCl3
Source File Reference UWVN25854