Category: Spectroscopy

Acetonitrile -d3 NMR- data Chemical shift [ppm] (Multiplicity) Coupling constants [Hz] 1H 1.94 (5) 1J(C,D) 20.7 13C 1.39 (7) 118.69 2J(H,D) 2.5 H2O/HOD Shift 2.12 15N -137.6(CH3NO2 = 0)   Physical data Formula C2D3N Molecular weight [g/mol] 44.05 Density (d420) 0.839 Melting point [°C] -42 Boiling point [°C] 79 Inflammation temperature [°C] 5 Refraction index …

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Benzene -d6 NMR- data Chemical shift [ppm] (Mulitiplicity) Coupling constants [Hz] 1H 7.16 1J(C,D) 24.0 13C 128.39 (3) H2O/HOD Shift 0.4 Physical data Formula C6D6 Molecular weight [g/mol] 84.15 Density (d420) 0.948 Melting point [°C] 6.7 Boiling point [°C] 79 Inflammation temperature [°C] -11 Refraction index (nD20) 1.4991 Dynamic viscosity (20°C) [mPa s] 0.69 Magnetic …

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NMR- data Chemical shift [ppm] (Multiplicity) Coupling constants [Hz] 1H 7.26 1J(C,D) 32.0 13C 77.23 (3) H2O/HOD Shift 1.55   Physical data Formula CDCl3 Molecular weight [g/mol] 120.38 Density (d420) 1.50 Melting point [°C] -64.1 Boiling point [°C] 60 Inflammation temperature [°C] – Refraction index (nD20) 1.4450 Dynamic viscosity (20°C) [mPa s] 0.57 Magnetic suszeptibility …

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Deuterium oxide NMR- data Chemical shift [ppm] Coupling constants [Hz] 1H 4.72 2J(H,D) 1.0 17O 0.0(Standard )   Physical data Molecular weight [g/mol] 20.03 Density (d420) 1.11 Melting point [°C] 3.8 Boiling point [°C] 101.4 Inflammation temperature [°C] – Refraction index (nD20) 1.328 Dynamic viscosity (20°C) [mPa s] 1.24 Magnetic suszeptibility (20°C) -0.719 x 10^(-6) …

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NMR- data Chemical shift [ppm] (Multiplicity) Coupling constants [Hz] 1H 5.31 (3) 1J(C,D) 27.2 13C 53.7 (5) 2J(H,D) 1.1  H2O/HOD- Shift  1.52   Physical data Formula CD2Cl2 Molecular weight [g/mol] 86.95 Density (d420) 1.36 Melting point [°C] -97 Boiling point [°C] 39 Inflammation temperature [°C] – Refraction index (nD20) 1.4230 Dynamic viscosity (20°C) [mPa s] …

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