a,a,a’,a’-Tetramethyl-5-methyl-1,3-benzenediacetonitrile-d12

Product Name a,a,a’,a’-Tetramethyl-5-methyl-1,3-benzenediacetonitrile-d12
CAT No. CS-T-86953
CAS No. 1185098-75-2
Category Stable Isotopes
Stock Enquire
Mol. Wt. Not Available
Mol. For. Not Available
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Smileys N#CC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C1=C(C)C=CC(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C#N)=C1
Canonical Smiles CC1=CC(=CC(=C1)C(C)(C)C#N)C(C)(C)C#N
InchIKey SJECEXNMZXMXNE-QWSXYEKLSA-N
Inchl InChI=1S/C15H18N2/c1-11-6-12(14(2,3)9-16)8-13(7-11)15(4,5)10-17/h6-8H,1-5H3/i2D3,3D3,4D3,5D3
IUPAC 2-[3-(2-cyano-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-5-methylphenyl]-3,3,3-trideuterio-2-(trideuteriomethyl)propanenitrile
Controlled No
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a,a,a’,a’-Tetramethyl-5-methyl-1,3-benzenediacetonitrile-d12 is a deuterated derivative of a widely used organic compound known as Tetramethylbenzene. This compound is a stable, colorless liquid that is soluble in many organic solvents. The deuterated version of this compound is used for different analytical purposes, especially in the area of nuclear magnetic resonance (NMR) spectroscopy. NMR spectroscopy is a powerful analytical technique for determining the structure of molecules. It works by measuring the interaction between atomic nuclei and an external magnetic field. The use of a,a,a’,a’-Tetramethyl-5-methyl-1,3-benzenediacetonitrile-d12 as a solvent in NMR spectroscopy provides a deuterium lock signal that helps stabilize the NMR spectrometer’s magnetic field. This improves the accuracy of the NMR measurements and provides a clearer picture of the molecular structure. The chemical formula of a,a,a’,a’-Tetramethyl-5-methyl-1,3-benzenediacetonitrile-d12 is C16H16D12N2, and it has a molecular weight of 240.4 g/mol. It is a deuterated compound, meaning that it contains deuterium instead of hydrogen. Deuterium is a stable isotope of hydrogen, and its inclusion in a compound can provide useful information about its molecular structure. In conclusion, a,a,a’,a’-Tetramethyl-5-methyl-1,3-benzenediacetonitrile-d12 is an important compound in the field of analytical chemistry, particularly in NMR spectroscopy. Its use as a solvent provides valuable information about the molecular structure of different compounds, making it an essential tool in the identification and characterization of organic molecules.

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