Category: Spectroscopy

NMR- data Chemical shift [ppm] (Multiplicity) Coupling constants [Hz] 1H 3.31 (5) 1J(C,D) 21.4 4.87 2J(H,D) 1.7 13C 49.15 (7) 17O -37(H2O = 0) H2O/HOD Shift 4.86   Physical data Formula CD4O Molecular weight [g/mol] 36.07 Density (d420) 0.89 Melting point [°C] -99 Boiling point [°C] 65 Inflammation temperature [°C] 12 Refraction index (nD20) 1.3289 …

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Nitromethane -d3 NMR- data Chemical shift [ppm] (Multiplicity) Coupling constants [Hz] 1H 4.33 (5) 1J(C,D) 21.0 13C 62.8 (7) 2J(H,D) 1.9 15N 0.0 (standard) 17O 605(H2O = 0) H2O/HOD Shift 2.2   Physical data Formula CD3NO2 Molecular weight [g/mol] 64.06 Density (d420) 1.19 Melting point [°C] -26 Boiling point [°C] 100 Inflammation temperature [°C] – Refraction …

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NMR- data Chemical shift [ppm] (Multiplicity) Coupling constants [Hz] 1H 8.72 (H-1) 1J(C,D) 27.5 (C-1) 7.21 (H-2) 25.0 (C-2) 7.57 (H-3) 24.5 (C-3) 13C 149.5 (C-1) (3) 123.5 (C-2) (3) 135.5 (C-3) (3)   Physical data Formula C5D5N Molecular weight [g/mol] 84.13 Density (d420) 1.05 Melting point [°C] -41 Boiling point [°C] 114 Inflammation temperaure …

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NMR- data Chemical shift [ppm] Coupling constants [Hz] 1H 1.72 1J(C,D) 22.0 (C-1) 3.57 20.5 (C-2) 13C 25.2 67.2 17O 16(H2O = 0) H2O/HOD 2.42   Physical data Formula C4D8O Molecular weight [g/mol] 80.15 Density (d420) 0.99 Melting point [°C] -108.5 Boiling point [°C] 64 Inflammation temperature [°C] -17.5 Refraction index (nD20) 1.4043 Dynamic viscosity …

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NMR- data Chemical shift [ppm] (Multiplicity) Coupling constants [Hz] 1H 2.09 (5) 1J(C,D) 22.0 (CD3) 6.97 (H-1) (m) 24.0 (C-2,C-3) 7.09 (H-2) (m) 19.0 (C-4) 7.01 (H-3) 2J(H,D) 2.2 13C 20.4 (7) 125.49 (3) 128.33 (3) 129.24 (3) 137.86 3J(H,D) 1.2 (H-1)  H2O/HOD Shift  0.45 1.1 (H-2,H-3)   Physical data Formula C7D8 Molecular weight [g/mol] …

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