ComPlat/chem-spectra-app

Change Reference values for 1H and 13C NMR

baolanlequang opened this issue · 1 comments

1H:

  • The list of solvents-reference values for 1H NMR data needs to be corrected for D2O (deuterium oxide as given in the list):
    Please change: "deuterium oxide" -> "D2O" (in the dropdown list/selection of solvents)
    Please change value from "4.75" to "4.79".

13C:

Solvent Name | Old value | New value1, Newvalue2, Newvalue3....
benzene | 128.39 | 128.06
C6D5Cl | missing | 134.19, 129.26, 128.25, 125.96
acetone-d6 | 29.92, 206.68 | 29.64, 206.26
DMSO-d6 | 39.51 | 39.52
Acetonitrile-d3 | 1.39, 118.69 | 1.32, 118.26
Trifluoroethanol-d3 | 61.5, 126.3 | 61.8, 126.28
Methanol-d4 | 49.15 | 49.00
Dichloromethane-d2 | 54 | 53.84
Chloroform-d | 77 | 77.16

Done by #136