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SALICYLIC ACID, 1-ISOCYANATO-1-(PARA-TOLYL)-2,2,2-TRIFLUOROETHYL ESTER
SpectraBase Compound ID 4ZZTT0Fp3DA
InChI InChI=1S/C17H12F3NO4/c1-11-6-8-12(9-7-11)16(21-10-22,17(18,19)20)25-15(24)13-4-2-3-5-14(13)23/h2-9,23H,1H3
InChIKey UQOQHLGSPHGYDE-UHFFFAOYSA-N
Mol Weight 351.28 g/mol
Molecular Formula C17H12F3NO4
Exact Mass 351.071842 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Rx1sfXJ6CG
Name SALICYLIC ACID, 1-ISOCYANATO-1-(PARA-TOLYL)-2,2,2-TRIFLUOROETHYL ESTER
Comments SCALE INVERTED. MIXTURE WITH N-ALKYLIDENURETHANE.;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H12F3NO4
InChI InChI=1S/C17H12F3NO4/c1-11-6-8-12(9-7-11)16(21-10-22,17(18,19)20)25-15(24)13-4-2-3-5-14(13)23/h2-9,23H,1H3
InChIKey UQOQHLGSPHGYDE-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