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1-N-CYCLOHEXYLCARBAMOYL-2,2-BIS(TRIFLUOROMETHYL)ETHENYL ALPHA-HYDROHEXAFLUOROISOBUTYRATE
SpectraBase Compound ID 5BCaSzdLwcZ
InChI InChI=1S/C15H13F12NO3/c16-12(17,18)8(13(19,20)21)7(10(29)28-6-4-2-1-3-5-6)31-11(30)9(14(22,23)24)15(25,26)27/h6,9H,1-5H2,(H,28,29)
InChIKey NTXTYCMVSAMOLD-UHFFFAOYSA-N
Mol Weight 483.25 g/mol
Molecular Formula C15H13F12NO3
Exact Mass 483.070381 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Leq9zttT2Pq
Name 1-N-CYCLOHEXYLCARBAMOYL-2,2-BIS(TRIFLUOROMETHYL)ETHENYL ALPHA-HYDROHEXAFLUOROISOBUTYRATE
Comments SCALE INVERTED. 17.7, 19.4 WERE ASSIGNED TO CIS AND TRANS CF3 DUE TO
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H13F12NO3
InChI InChI=1S/C15H13F12NO3/c16-12(17,18)8(13(19,20)21)7(10(29)28-6-4-2-1-3-5-6)31-11(30)9(14(22,23)24)15(25,26)27/h6,9H,1-5H2,(H,28,29)
InChIKey NTXTYCMVSAMOLD-UHFFFAOYSA-N
Instrument Name PE R-12A
Literature Reference E.G.TERT-GABRIELYAN, E.A.AVETISYAN, N.P.GAMBARYAN (1973) Izv.Akad.NaukSSSR(Russ. Lang.): N11, 2562-2566.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3H6O acetone