NMR-Data [1] for Alanine: Atom Atomtyp Chemical Shift [ppm]1 Random Coil chem. shift 3 Random Coil chem. shift 4 average standard deviation entries2 H H 8.193 0.658 60330 8.24 8.19 Hα H 4.25 0.448 45753 4.32 4.62 Hβ H 1.352 0.285 43360 1.39 1.35 C C 177.73 3.627 38367 177.8 175.9 Cα C 53.163 2.087 52586 52.5 50.5 Cβ …
Category: Spectroscopy
Dec 10
2,2,2-Trifluoroethanol-d3
NMR- data Chemical shift [ppm] (Multiplicity) Coupling constants [Hz] 1H 5.02 3.88 (4*3) J(H,D) 2 (9) 13C 126.3 (4) 61.5 (4*5) J(C,D) 22 H2O/HOD SHift 5 Physical data Formula C2D3F3 Molecular weight [g/mol] 87.06 Density (d420) 1.42 Melting point [°C] -44 Boiling point [°C] 77 Inflammation temperature [°C] Refraction index (nD20) 1.30 Dynamic viscosity …
Dec 10
Tetrachloroethane-d2
NMR- data Chemical shift [ppm] (Multiplicity) Coupling constants [Hz] 1H 5.91 (5) 13C 74.2 (5) H2O/HOD Shift 1.5 Physical data Formula C2D2Cl4 Molecular weight [g/mol] 169.86 Density (d420) 1.7 Melting point [°C] -43 Boiling point [°C] 146 Inflammation temperature [°C] Refraction index (nD20) 1.493 Dynamic viscosity (20°C) [mPa s] Magnetic suszeptibility (20°C) Dielectrical …
Dec 10
2-Propanol-d8
NMR- data Chemical shift [ppm] (Multiplicity) Coupling constants [Hz] 1H 5.12 3.89 (br) 1.10 (br) 13C 62.9 (3) 24.2 (7) J(C,D) 21.5 19 Physical data Formula C3D8O Molecular weight [g/mol] 68.15 Density (d420) 0.786 Melting point [°C] -89.5 Boiling point [°C] 82.4 Inflammation temperature [°C] Refraction index (nD20) 1.3728 Dynamic viscosity (20°C) [mPa s] …
Dec 10
Nitrobenzene-d5
NMR- data Chemical shift [ppm] (Multiplicity) Coupling constants [Hz] 1H 8.11 (br) 7.67 (br) 7.50 (br) 13C 148.6 134.8 (3) 129.5 (3) 123.5 (3) J(C,D) 24.5 25 26 H2O/HOD Shift 2.42 Physical data Formula C6D5NO2 Molecular weight [g/mol] 128.14 Density (d420) 1.253 Melting point [°C] 6 Boiling point [°C] 211 Inflammation temperature [°C] Refraction index …
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