Back to directory

Spectral to Structure Mapping Prediction

Agent skill
1 skill

Use when you have preprocessed 1D 1H and/or 13C NMR spectra from an unknown organic compound with ≤19 heavy atoms, and you need to recover its molecular structure (both formula and connectivity) rapidly without access to 2D NMR experiments (HSQC, HMBC, COSY) or mass spectrometry.

Install with
Claude CodeCodexCursorGitHub CopilotGemini CLI

Supported by the Atlas install prompt. Skill-specific requirements vary.

Skill stats

Skills1CategoryScience & researchStars0

About this skill

Use when you have preprocessed 1D 1H and/or 13C NMR spectra from an unknown organic compound with ≤19 heavy atoms, and you need to recover its molecular structure (both formula and connectivity) rapidly without access to 2D NMR experiments (HSQC, HMBC, COSY) or mass spectrometry.

Quick start

  1. Copy the install prompt. Use the green button above this README.
  2. Send it to your agent. Paste it into your coding agent’s chat and send.
  3. Review the setup. Your agent checks the skill’s instructions, requirements, and installation scope.
Review, license & listing details
Review the source before using this skill

This is an imported listing. We haven’t certified its safety, license, or compatibility. Skills may include executable scripts.

Automated security scan: Partial

Only SKILL.md was scanned. Supporting files and scripts were not checked. No safety grade has been assigned.

0 potential findings · Scanned 11/4/2026 · Scanner 0.2.1

Content SHA-256: 6711ab212194a4d54aa18c22c0efd9fa309afe4d15304cb48442dbf1c0e39a68

About scan coverage and limitations

About this listing

Category
Science & research
Reported license
Apache-2.0
Listing language (estimated)
English
Review status
Not individually reviewed
Agent compatibility
Atlas installation supports Claude Code, Codex, and Cursor. Skill-specific dependencies and features are checked during setup.