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5-(1-HYDROXY-1-TRIFLUOROMETHYL-2,2,2-TRIFLUOROETHYL)-3-HYDROXY-1-METHOXYCARBONYLMETHYL-2-OXO-3-TRIFLUOROMETHYLINDOLINE
SpectraBase Compound ID KzHCeLG7Xmw
InChI InChI=1S/C15H10F9NO5/c1-30-9(26)5-25-8-3-2-6(12(29,14(19,20)21)15(22,23)24)4-7(8)11(28,10(25)27)13(16,17)18/h2-4,28-29H,5H2,1H3
InChIKey ZWKWVMXPEMBEBR-UHFFFAOYSA-N
Mol Weight 455.23 g/mol
Molecular Formula C15H10F9NO5
Exact Mass 455.041526 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3DA6GmJ7p5n
Name 5-(1-HYDROXY-1-TRIFLUOROMETHYL-2,2,2-TRIFLUOROETHYL)-3-HYDROXY-1-METHOXYCARBONYLMETHYL-2-OXO-3-TRIFLUOROMETHYLINDOLINE
Comments J(C-F) FOR CHEM.SHIFT 13C: 124.1(J=283.9HZ); 125.0(J=284.5HZ). SCALE;WP-200SY (BRUKER)
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Formula C15H10F9NO5
InChI InChI=1S/C15H10F9NO5/c1-30-9(26)5-25-8-3-2-6(12(29,14(19,20)21)15(22,23)24)4-7(8)11(28,10(25)27)13(16,17)18/h2-4,28-29H,5H2,1H3
InChIKey ZWKWVMXPEMBEBR-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference N.D.CHKANIKOV, V.D.SVIRIDOV, A.E.ZELENIN, V.YU.TYUTIN, A.F.KOLOMIETS, A.V.FOKIN(1992) Izv.Akad.Nauk SSSR(Russ. Lang.): N8, 1820-1831.
NMR Standard -CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3H6O acetone