For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
TRANS(E,E)-4-TRIFLUOROMETHYLCYCLOHEXANOL, 3,5-DINITROBENZOATE
SpectraBase Compound ID Kx65jDsgfIc
InChI InChI=1S/C14H13F3N2O6/c15-14(16,17)9-1-3-12(4-2-9)25-13(20)8-5-10(18(21)22)7-11(6-8)19(23)24/h5-7,9,12H,1-4H2
InChIKey PVQPOYQMEWBCBY-UHFFFAOYSA-N
Mol Weight 362.26 g/mol
Molecular Formula C14H13F3N2O6
Exact Mass 362.072571 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BFpyqzlaL45
Name CIS(A,E)-4-TRIFLUOROMETHYLCYCLOHEXANOL, 3,5-DINITROBENZOATE
Comments CARCAS STRUCTURE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H13F3N2O6
InChI InChI=1S/C14H13F3N2O6/c15-14(16,17)9-1-3-12(4-2-9)25-13(20)8-5-10(18(21)22)7-11(6-8)19(23)24/h5-7,9,12H,1-4H2
InChIKey PVQPOYQMEWBCBY-UHFFFAOYSA-N
Instrument Name Tesla BS487
Literature Reference I.M.ZALESSKAYA, A.N.BLAKITNY, E.P.SAENKO, YU.A.FIALKOV, L.M.YAGUPOL'SKY (1980)Zhurn.Org.Khim.(Russ. Lang.): v.16, N6, 1194-1202.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported