Delta Tips: Molecule Editor
NMDT_0057
Delta software has a function to draw structural formula by using Molecule Editor and to display structural formulae together with NMR spectra as shown in the figure below.
![An example of structural formula displayed in 1H spectrum](./product_file/file/1709_01e.png)
An example of structural formula displayed in 1H spectrum
In the example below, we will demonstrate basic functions of Molecule Editor on 1-propanol.
① Select Tools - Molecule Editor in the Delta window to open the Molecule Editor window.
![Solvent-free sample preparation.](./product_file/file/1709_02e.png)
※ You can also open Molecule Editor from the Data Slate and Data Processor windows.
② Push the Template button.
③ Create a box by Drag & Drop.
Note that the Load Template window has automatically opened.
![](./product_file/file/1709_03e.png)
④ Push the Global Directory button in the Load Template window.
⑤ Select the chains template group from the list.
⑥ Push the propyl template button.
![](./product_file/file/1709_04e.png)
※ You can display atom numbering by selecting View - Atom Numbers in the Molecule Editor window.
![](./product_file/file/1709_05e.png)
⑦ Select Options - Snap in the Molecule Editor window.
![](./product_file/file/1709_06e.png)
⑧ Push the Draw Bond button and ⑨ the Single Bond button.
⑩ Click on the terminal group 3 of propane to draw a new single bond.
![](./product_file/file/1709_07e.png)
⑪ Push the Draw Atom button and ⑫ the Oxygen button.
⑬ Select the terminal group 4 of butane to replace the carbon atom (rather CH3) by oxygen.
![](./product_file/file/1709_08e.png)
⑭ Refer to steps ⑧ - ⑬ in order to draw a new bond from the oxygen atom 4 and to replace the new carbon atom by hydrogen. The hydroxyl group of 1-propanol has been created.
![](./product_file/file/1709_09e.png)
Structural formula of 1-propanol, C3H7OH.
⑮ Select File - Save to open the Save Molecule File window.
Input a file name into the Filename input box and push the Save button.
Note that the file has been saved in the molfile format (.mol).
![](./product_file/file/1709_10e.png)
- Please see the PDF file for the additional information.
Another window opens when you click.
PDF 964KB
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