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5-NITRO-5-METHYL-6,6,6-TRIFLUOROHEXAN-2-ONE
SpectraBase Compound ID I8T3ikmY2ob
InChI InChI=1S/C7H10F3NO3/c1-5(12)3-4-6(2,11(13)14)7(8,9)10/h3-4H2,1-2H3
InChIKey YCMALLJAULZHAY-UHFFFAOYSA-N
Mol Weight 213.16 g/mol
Molecular Formula C7H10F3NO3
Exact Mass 213.061278 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JGLnFxUfDzF
Name 5-NITRO-5-METHYL-6,6,6-TRIFLUOROHEXAN-2-ONE
Comments `+` AXIS-LOW FIELD (DIRECT INDICATION IN THE PUBLICATION).
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H10F3NO3
InChI InChI=1S/C7H10F3NO3/c1-5(12)3-4-6(2,11(13)14)7(8,9)10/h3-4H2,1-2H3
InChIKey YCMALLJAULZHAY-UHFFFAOYSA-N
Instrument Name Bruker WP-80
Literature Reference B.BAASNER, A.MARHOLD, M.NEGELE (1990) J.Fluor.Chem.: v.46, N1, 161-172.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d