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1-Ethynylcyclohexanol (ECX) is an alkynyl alcohol derivative which is both a synthetic precursor to, and an active metabolite of the tranquilizer ethinamate, and has similar sedative, anticonvulsant and muscle relaxant effects. It has been sold as a designer drug, first being identified in the UK in March 2012. [1] [2] [3] [4]
Available through Wiley Online Library [3] (John Wiley & Sons), SpecInfo on the Internet NMR is a collection of approximately 440,000 NMR spectra (organized as 13 C, 1 H, 19 F, 31 P, and 29 Si NMR databases). The data are accessed via the Internet using a Java interface and are stored in a server developed jointly with BASF. The software ...
The 1 H NMR spectra were recorded at a resonance frequency of 400 MHz with a resolution of 0.0625 Hz or at 90 MHz with a resolution of 0.125 Hz. The spectral acquisition was carried out using a flip angle of 22.5 – 30.0 degrees and a pulse repetition time of 30 seconds. [ 4 ]
1 H NMR spectrum predicted for 1,4-dimethylbenzene. Under ideal conditions, the ratio of integrated signal of protons A and B is related to the structure of this molecule. The integrated intensities of NMR signals are, ideally, proportional to the ratio of the nuclei within the molecule. [4]
A 900 MHz NMR instrument with a 21.1 T magnet at HWB-NMR, Birmingham, UK Nuclear magnetic resonance spectroscopy, most commonly known as NMR spectroscopy or magnetic resonance spectroscopy (MRS), is a spectroscopic technique based on re-orientation of atomic nuclei with non-zero nuclear spins in an external magnetic field.
The HSQC experiment is a highly sensitive 2D-NMR experiment and was first described in a 1 H— 15 N system, but is also applicable to other nuclei such as 1 H— 13 C and 1 H— 31 P. The basic scheme of this experiment involves the transfer of magnetization on the proton to the second nucleus, which may be 15 N, 13 C or 31 P, via an INEPT ...
The spectrum that appears along both the horizontal and vertical axes is a regular one dimensional 1 H NMR spectrum. The bulk of the peaks appear along the diagonal, while cross-peaks appear symmetrically above and below the diagonal. COSY-90 is the most common COSY experiment. In COSY-90, the p1 pulse tilts the nuclear spin by 90°.
In order to simplify the spectrum, 13 C NMR spectroscopy is most often run fully proton decoupled, meaning 1 H nuclei in the sample are broadly irradiated to fully decouple them from the 13 C nuclei being analyzed. This full proton decoupling eliminates all coupling with H atoms and thus splitting due to H atoms in natural isotopic abundance ...