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N-(1-TRIFLUOROMETHYL-2-FLUORO-2-DIMETHYLAMINOVINYL)-N-PERFLUORO-TERT-BUTYL-N',N'-DIMETHYLUREA
SpectraBase Compound ID BJ9uXteqlXa
InChI InChI=1S/C12H12F13N3O/c1-26(2)6(13)5(8(14,15)16)28(7(29)27(3)4)9(10(17,18)19,11(20,21)22)12(23,24)25/h1-4H3/b6-5+
InChIKey ZDOCJIOGKWJMKC-AATRIKPKSA-N
Mol Weight 461.23 g/mol
Molecular Formula C12H12F13N3O
Exact Mass 461.077278 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ji5Wy1Pggx6
Name N-(1-TRIFLUOROMETHYL-2-FLUORO-2-DIMETHYLAMINOVINYL)-N-PERFLUORO-TERT-BUTYL-N',N'-DIMETHYLUREA
Comments (Z)-CONFIGURATION IS DEDUCED FROM J(F-F). SCALE INVERTED;R-32 (PERKIN-ELMER)
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C12H12F13N3O
InChI InChI=1S/C12H12F13N3O/c1-26(2)6(13)5(8(14,15)16)28(7(29)27(3)4)9(10(17,18)19,11(20,21)22)12(23,24)25/h1-4H3/b6-5+
InChIKey ZDOCJIOGKWJMKC-AATRIKPKSA-N
Instrument Name SEE COMMENT
Literature Reference D.P.DEL'TSOVA, N.P.GAMBARYAN (1984) Izv.Akad.Nauk SSSR(Russ. Lang.): N6, 1367-1370.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2H3N acetonitrile