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2-AZIRIDINO-3-(TRIFLUOROMETHYL)-4,4-DIFLUOROBUT-3-ENOIC ACID, METHYLESTER
SpectraBase Compound ID 9ybTBHhVOOO
InChI InChI=1S/C8H8F5NO2/c1-16-7(15)5(14-2-3-14)4(6(9)10)8(11,12)13/h5H,2-3H2,1H3
InChIKey NCROPRJKJGGYOX-UHFFFAOYSA-N
Mol Weight 245.15 g/mol
Molecular Formula C8H8F5NO2
Exact Mass 245.047519 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BLyKzgeEUur
Name 2-AZIRIDINO-3-(TRIFLUOROMETHYL)-4,4-DIFLUOROBUT-3-ENOIC ACID, METHYLESTER
Comments MAY BE R-12 (1H-60MHZ). CIS AND TRANS F ARE ASSIGNED EXACTLY.
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Formula C8H8F5NO2
InChI InChI=1S/C8H8F5NO2/c1-16-7(15)5(14-2-3-14)4(6(9)10)8(11,12)13/h5H,2-3H2,1H3
InChIKey NCROPRJKJGGYOX-UHFFFAOYSA-N
Instrument Name Jeol C-60 HL
Literature Reference I.V.SOLODIN, A.V.EREMEEV, E.E.LIEPIN'SH, R.G.KOSTYANOVSKY (1985)Khim.Heteroc.Soed.(Russ. Lang.): N4, 505-508.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C7D8 toluene-d8