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2-endo-Trifluoroacetoxy-2-exo-deuterio-bicyclo(2.2.1)heptan-3-one

View entire compound with spectra: 1 NMR

2-endo-Trifluoroacetoxy-2-exo-deuterio-bicyclo(2.2.1)heptan-3-one
SpectraBase Compound ID 3x6qUrFKlgm
InChI InChI=1S/C9H9F3O3/c10-9(11,12)8(14)15-7-5-2-1-4(3-5)6(7)13/h4-5,7H,1-3H2/t4-,5+,7+/m1/s1/i7D
InChIKey PBLMLLFELRRQFB-YCTXWESBSA-N
Mol Weight 223.17 g/mol
Molecular Formula C9H8DF3O3
Exact Mass 223.056655 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2pQjcc7LQNv
Name 2-endo-Trifluoroacetoxy-2-exo-deuterio-bicyclo(2.2.1)heptan-3-one
CAS Registry Number 87518-27-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H8DF3O3
InChI InChI=1S/C9H9F3O3/c10-9(11,12)8(14)15-7-5-2-1-4(3-5)6(7)13/h4-5,7H,1-3H2/t4-,5+,7+/m1/s1/i7D
InChIKey PBLMLLFELRRQFB-YCTXWESBSA-N
Literature Reference X. Creary, C.C. Geiger, J. Am. Chem. Soc. 105, 7123 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3