NPanalyte for fragment construction

1.Import structure analysis moduleimport DATAanalytefrom DATAanalyte.StructureEstablish import *2.Input dataStrnodename: Chemical shift value of fragments with undetermined structureComfirmListstrnodename="124.2,160.6,46.4,182.0,143.8,···

6.NPanalyte for fragment construction

NPanalyze also provides a module for assisting in the construction of chemical structural fragments① Input file: First, click on "2DNMR data" and select the ". csv" file that stores the 2D NMD data;② Enter the informat···

5.NPanalyte for planar structural check

After completing the establishment of the chemical structure, the correctness of the established planar structure can be measured by detecting the overall consistency between the chemical structure and 1D/2D NMR, in order to minimize the pu···

1. Quickly get started with the 1DNMR module to analyze mixtures

After installing the NPanalyze software, open the software and the following interface will be displayed:2.Select the 13C DEPT NMR spectra of the mixture (or compound) to be analyzed:

NPanalyte for 13C DEPT NMR

>>>data_dir=r"E:\type\kaa059-2\4\pdata\1">>>data_dir135=r"E:\type\kaa059-2\6\pdata\1">>>data_dir90=r"E:\type\kaa059-2\8\pdata\1"

NPanalyte for 2D NMR analysis

1.Automatic analysis1.1Input file:Input raw data of HSQC, 1H 1H COSY, HMBC.Simultaneously, the 13C NMR chemical shift of the compound needs to be inputted (which can be obtained through 13C DEPT NMR analysis)dir_COSY=r"E:\type\kaa059-2···