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[7-(TRIFLUOROACETYL)-CYCLOPENTA-[C]-PYRAN-3-YL]-ACETONITRILE
SpectraBase Compound ID IdJfwdKvNiN
InChI InChI=1S/C12H6F3NO2/c13-12(14,15)11(17)9-2-1-7-5-8(3-4-16)18-6-10(7)9/h1-2,5-6H,3H2
InChIKey IUUSFRQVHFAVIR-UHFFFAOYSA-N
Mol Weight 253.18 g/mol
Molecular Formula C12H6F3NO2
Exact Mass 253.035063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gVFN9FQoP2
Name [7-(TRIFLUOROACETYL)-CYCLOPENTA-[C]-PYRAN-3-YL]-ACETONITRILE
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H6F3NO2
InChI InChI=1S/C12H6F3NO2/c13-12(14,15)11(17)9-2-1-7-5-8(3-4-16)18-6-10(7)9/h1-2,5-6H,3H2
InChIKey IUUSFRQVHFAVIR-UHFFFAOYSA-N
Literature Reference Author E.GUELLUEK,E.BOGDAN,M.CHRISTL
Literature Reference Citation EUR.J.ORG.CHEM.,531(2006)
Literature Reference DOI 10.1002/ejoc.200500631
Molecular Weight 253.180 g/mol
Sample ID 43021
Solvent CDCl3