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  2. 2-Ethylphenol - Wikipedia

    en.wikipedia.org/wiki/2-Ethylphenol

    2-Ethylphenol is an organic compound with the formula C 2 H 5 C 6 H 4 OH. It is one of three isomeric ethylphenols. A colorless liquid, it occurs as an impurity in xylenols and as such is used in the production of commercial phenolic resins. It is produced by ethylation of phenol using ethylene or ethanol in the presence of aluminium phenolate. [2]

  3. Two-dimensional nuclear magnetic resonance spectroscopy

    en.wikipedia.org/wiki/Two-dimensional_nuclear...

    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°.

  4. Isotopic analysis by nuclear magnetic resonance - Wikipedia

    en.wikipedia.org/wiki/Isotopic_analysis_by...

    On the following 2 H-NMR spectrum (Figure 8), a peak corresponds to one of the three observed isotopomers of ethanol. In the AOAC official method, the ratios of (D/H)CH 3 and (D/H)CH 2 are calculated by comparison with an Internal standard, tetramethylurea (TMU), with a certified (D/H) value.

  5. Isotopic shift - Wikipedia

    en.wikipedia.org/wiki/Isotopic_shift

    H NMR spectrum of a solution of HD (labeled with red bars) and H 2 (blue bar). The 1:1:1 triplet arises from the coupling of the 1 H nucleus (I = 1/2) to the 2 H nucleus (I = 1). In NMR spectroscopy, isotopic effects on chemical shifts are typically small, far less than 1 ppm, the typical unit for measuring shifts. The 1 H NMR signals for 1 H 2 ...

  6. Nuclear magnetic resonance spectroscopy - Wikipedia

    en.wikipedia.org/wiki/Nuclear_magnetic_resonance...

    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.

  7. Spectral Database for Organic Compounds - Wikipedia

    en.wikipedia.org/wiki/Spectral_Database_for...

    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 ]

  8. Chemical shift - Wikipedia

    en.wikipedia.org/wiki/Chemical_shift

    The use of the deuterium (lock) channel, so the 2 H signal of the deuterated solvent, and the Ξ value of the absolute scale is a form of internal referencing and is particularly useful in heteronuclear NMR spectroscopy as local reference compounds may not be always be available or easily used (i.e. liquid NH 3 for 15 N NMR

  9. Spartan (chemistry software) - Wikipedia

    en.wikipedia.org/wiki/Spartan_(chemistry_software)

    Infrared spectroscopy (IR) spectra. Fourier transform spectroscopy (FT-IR) [78] Raman spectroscopy (IR) [79] Nuclear magnetic resonance (NMR) spectra. 1 H chemical shifts [80] [81] and coupling constants (empirical) 13 C chemical shifts, [80] [81] Boltzmann averaged shifts, and 13 C DEPT spectra; 2D H vs H Spectra COSY [82] plots; 2D C vs H Spectra