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1-(1-ADAMANTYL)-3-TRIFLUOROACETYLPYRROLE
SpectraBase Compound ID qXNjaAsWbq
InChI InChI=1S/C16H18F3NO/c17-16(18,19)14(21)13-1-2-20(9-13)15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,9-12H,3-8H2/t10-,11+,12-,15-
InChIKey JUARERGYLNQGRX-WUQLGEGHSA-N
Mol Weight 297.32 g/mol
Molecular Formula C16H18F3NO
Exact Mass 297.134049 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4lHsGcdXBDn
Name 1-(1-ADAMANTYL)-3-TRIFLUOROACETYLPYRROLE (ROTAMERS MIXTURE)
Comments C-C SINGLE BOND SYN/ANTI ISOMER MIXTURE. 3 LINES WITH J(F-H)=1.1 AND;19F-84.6MHZ
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Formula C16H18F3NO
InChI InChI=1S/C16H18F3NO/c17-16(18,19)14(21)13-1-2-20(9-13)15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,9-12H,3-8H2/t10-,11+,12-,15-
InChIKey JUARERGYLNQGRX-WUQLGEGHSA-N
Instrument Name SEE COMMENT
Literature Reference D.D.CHEDVIK, I.A.KLIFF (1984) Khim.Heteroc.Soed.(Russ. Lang.): N5, 579-612.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6