How can I use this to identify a molecule?

You can provide your spectral data to the `suggest_molecular_structure` tool to receive potential molecular candidates based on your shifts and coupling constants.

What data is required for analysis?

To use `analyze_proton_environments`, you need to provide arrays for chemical shifts (ppm), integrations, and multiplicities.

Can it detect molecular symmetry?

Yes, the `identify_molecular_symmetry` tool evaluates if your proton environments are consistent with a symmetric molecular structure.

NMR Spectrum Interpreter MCP Connector for Claude

A+

Analyze NMR spectra to determine molecular structures.

4 tools Official Updated Oct 1, 2026 Official Vinkius Partner

More Details Connect to Claude

This MCP server provides specialized tools for interpreting Nuclear Magnetic Resonance (NMR) spectroscopy data. It allows AI agents to analyze chemical shifts, integration values, and spin-spin coupling patterns to identify proton environments and propose molecular structures. Use analyze_proton_environments to categorize signals, calculate_neighboring_protons to interpret splitting, identify_molecular_symmetry to check for structural symmetry, and suggest_molecular_structure to find candidate molecular frameworks.

nmrspectroscopychemistrymolecular-structurescience

Connect to Claude

Subscribe on Vinkius, then add this connector to Claude.ai or Claude Code.

① Claude.ai (web app)

Go to Settings → Connectors → Add custom connector
Paste the MCP endpoint URL below

https://edge.vinkius.com/vk_preview_WKZvhqU1MNRRu3ymIzjHnZRW9p0lHwnERGRTq0S5/mcp

② Claude Code (terminal)

claude mcp add --transport http nmr-spectrum-interpreter https://edge.vinkius.com/vk_preview_WKZvhqU1MNRRu3ymIzjHnZRW9p0lHwnERGRTq0S5/mcp

③ Claude Desktop

Add to claude_desktop_config.json:

{
  "mcpServers": {
    "nmr-spectrum-interpreter": {
      "url": "https://edge.vinkius.com/vk_preview_WKZvhqU1MNRRu3ymIzjHnZRW9p0lHwnERGRTq0S5/mcp"
    }
  }
}

Get full access on Vinkius

The preview token above works for testing. Powered by Vinkius.