---
title: AI Spectroscopy plugin
url: https://www.moldraw.com/docs/plugins/ai-spectroscopy-plugin-predict-nmr-ms-and-uv-vis/
section: Plugins
updated: 2026-10-11
publisher: LabCanvas
---

# AI Spectroscopy plugin

> Add a Gemini API key in Settings , AI, install Spectroscopy, open AI chat and ask e.g. "Predict the EI mass spectrum of this molecule".

![MolDraw AI chat panel with a prompt asking to predict the 1H NMR, EI-MS and UV-Vis spectra of the molecule on the canvas](https://www.moldraw.com/docs/img/plugin-spectroscopy-annotated-screenshot.webp)
*The AI chat predicts NMR, EI mass and UV-Vis data for the structure on the canvas.*

1. AI chat button in the toolbar.
2. Prompt box: describe which spectrum you want.

## What it does

The plugin sends your structure to the AI model. The model returns peaks in a fixed format. MolDraw shows them as tables and charts.

The values come from a language model. Use them to learn and explain. Do not use them as reference data. Check real spectra in SDBS or NIST.

## Who it is for

Students who want a quick guess at a spectrum. Teachers who make practice problems.

## How to use it

1. Open the [MolDraw editor](https://www.moldraw.com/) and sign in. Click **Settings**, then **Plugins**, then **Install** next to AI Spectroscopy.
2. Open Settings , AI and paste your Gemini API key (stored only in your browser).
3. Install **Spectroscopy** from Settings , Plugins.
4. Draw the molecule.
5. Click **AI chat** (callout 1).
6. Type a request in the prompt box (callout 2), e.g. "Predict the 1H NMR spectrum".
7. Open the result window to see the spectrum, peak table and notes.

## Tips

- Ask follow-up questions such as "Why is the base peak at m/z 43?"
- Check the molecular ion with the [exact mass calculator](https://www.moldraw.com/tools/free-chem-tools/exact-mass-calculator.html).
- Learn to read the plots with the [mass spectrum](https://www.moldraw.com/guides/how-to-read-mass-spectrum/), [IR](https://www.moldraw.com/guides/how-to-read-ir-spectrum/) and [NMR](https://www.moldraw.com/guides/how-to-read-nmr-spectrum/) guides.

## Questions and answers

**Does the AI Spectroscopy plugin cost money?**
The plugin is free; requests use your own Gemini API key, which has a free tier from Google.

**Are AI-predicted spectra accurate?**
They are plausible estimates for teaching. Always confirm with experimental data or rule-based predictors.

**Which spectra can it predict?**
1H/13C NMR, mass spectra (EI) and UV-Vis absorption.