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1-(BENZOXAZOL-2-YLTHIO)-1-(PARA-TOLYL)-2,2,2-TRIFLUOROETHYLISOCYANATE
SpectraBase Compound ID CioJPUwXqvA
InChI InChI=1S/C17H11F3N2O2S/c1-11-6-8-12(9-7-11)16(21-10-23,17(18,19)20)25-15-22-13-4-2-3-5-14(13)24-15/h2-9H,1H3
InChIKey LRABWRUYRVJXTO-UHFFFAOYSA-N
Mol Weight 364.34 g/mol
Molecular Formula C17H11F3N2O2S
Exact Mass 364.049333 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1K7QGFUx8FF
Name 1-(BENZOXAZOL-2-YLTHIO)-1-(PARA-TOLYL)-2,2,2-TRIFLUOROETHYLISOCYANATE
Comments SCALE INVERTED;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H11F3N2O2S
InChI InChI=1S/C17H11F3N2O2S/c1-11-6-8-12(9-7-11)16(21-10-23,17(18,19)20)25-15-22-13-4-2-3-5-14(13)24-15/h2-9H,1H3
InChIKey LRABWRUYRVJXTO-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference M.V.VOVK, YU.N.DAVIDYUK, L.I.SAMARAI (1991) Zhurn.Org.Khim.(Russ. Lang.): v.27,N7, 1480-1486.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6