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How to put a predicted spectrum on the page and export it

In the Predicted NMR window, press Insert spectrum to place the spectrum on the page as a figure, then export it like any figure. CSV saves the table of signals, and JCAMP-DX saves the spectrum as a standard data file.

Needs an internet connectionOn a Mac, Ctrl is Cmd.

Put it on the page

  1. Open the prediction: Object › Chemistry › Predict 1H NMR (or 13C).
  2. Press Insert spectrum. The message says "The predicted spectrum is on the page. Export it from Share like any figure."
  3. Close the window. The spectrum sits beside the structure, titled Predicted 1H NMR (predicted), with the field and solvent in the corner and a ppm axis. Move and resize it like any picture.

A predicted 1H spectrum of ethyl acetate placed on the page, with its ppm axis and title.A predicted 1H spectrum of ethyl acetate placed on the page, with its ppm axis and title.

  1. To make a file, select it and press Ctrl+Shift+E. See How to export a figure or structure file.

Save the data

  • CSV saves the table, one signal per row, for a spreadsheet.
  • JCAMP-DX saves the spectrum itself as a .jdx file, the standard exchange format that NMR software reads. It opens in Athanor again with Insert › Import spectrum.
Files and formatsHow to export a figure or structure filePress Ctrl+Shift+E, pick a format (Ctrl-click to pick several), read what it keeps and loses, then press Export or Copy. Export again (Ctrl+Alt+E) repeats the last choice.

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Last updated Nov 12, 2026