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1,5-DIHYDRO-1-(BENZOTRIAZOL-1-YL)-1-(4-TOLUIDINO)OCTAFLUOROPENTANE
SpectraBase Compound ID A3jmPWBFjYx
InChI InChI=1S/C18H14F8N4/c1-10-6-8-11(9-7-10)27-15(30-13-5-3-2-4-12(13)28-29-30)17(23,24)18(25,26)16(21,22)14(19)20/h2-9,14-15,27H,1H3
InChIKey HPINYSAOJUHMMK-UHFFFAOYSA-N
Mol Weight 438.33 g/mol
Molecular Formula C18H14F8N4
Exact Mass 438.109072 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3bqnpu8tRhw
Name 1,5-DIHYDRO-1-(BENZOTRIAZOL-1-YL)-1-(4-TOLUIDINO)OCTAFLUOROPENTANE
Comments SCALE INVERTED (DIRECT INDICATION IN THE PUBLICATION). CF3COOH: 77.0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H14F8N4
InChI InChI=1S/C18H14F8N4/c1-10-6-8-11(9-7-10)27-15(30-13-5-3-2-4-12(13)28-29-30)17(23,24)18(25,26)16(21,22)14(19)20/h2-9,14-15,27H,1H3
InChIKey HPINYSAOJUHMMK-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference ALAN R.KATRITZKY, WEI-QIANG FAN (1991) J.Fluor.Chem.: v.51, N1, 33-41.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported