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4-IODOSALICYLIC ACID, 1-ISOCYANATO-1-(PARA-TOLYL)-2,2,2-TRIFLUOROETHYLESTER
SpectraBase Compound ID GyKlpgm8nJO
InChI InChI=1S/C17H11F3INO4/c1-10-2-4-11(5-3-10)16(22-9-23,17(18,19)20)26-15(25)13-7-6-12(21)8-14(13)24/h2-8,24H,1H3
InChIKey KTTPCGBEHSLSIQ-UHFFFAOYSA-N
Mol Weight 477.18 g/mol
Molecular Formula C17H11F3INO4
Exact Mass 476.968487 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 35hIUjK2LHv
Name 4-IODOSALICYLIC ACID, 1-ISOCYANATO-1-(PARA-TOLYL)-2,2,2-TRIFLUOROETHYLESTER
Comments SCALE INVERTED. MIXTURE WITH N-ALKYLIDENURETHANE.;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H11F3INO4
InChI InChI=1S/C17H11F3INO4/c1-10-2-4-11(5-3-10)16(22-9-23,17(18,19)20)26-15(25)13-7-6-12(21)8-14(13)24/h2-8,24H,1H3
InChIKey KTTPCGBEHSLSIQ-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference M.V.VOVK, V.I.DOROKHOV, E.A.ROMANENKO, L.I.SAMARAI (1992)Ukrain.Khim.Zhurn.(Russ. Lang.): v.58, N4, 327-333.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6