Free · Browser-based · No data stored
Identify any molecule
from its spectra.
MID integrates ¹H NMR, ¹³C NMR, IR, and mass spectrometry — powered by thousands of high-precision quantum chemistry calculations — to generate all plausible structures consistent with your experimental data.
What's inside
- ¹H & ¹³C NMR Predictor — predict full spectra from any structure
- COSY · HSQC · HMBC — 2D correlation maps included
- IR Spectrum Reader — assign fingerprint and functional groups
- MS Isotope Pattern — predict and match mass distributions
- Molecule Identifier — combine all techniques, get candidate structures
Simple workflow How it works
Input your spectral data
Enter NMR chemical shifts, upload IR data, paste MS peaks — or draw a structure to generate predicted spectra instantly.
MID analyzes and predicts
Quantum-chemistry models trained on thousands of calculations match and predict spectral features with high accuracy.
Get candidate structures
Receive a ranked list of plausible molecular structures consistent with all the experimental data you provided.
Everything in one place The toolkit
NMR Peak Identifier
Assign ¹H and ¹³C NMR signals to specific atoms using quantum-chemistry-based predictions.
NMR Spectrum Simulator
Predict ¹H, ¹³C, COSY, HSQC, and HMBC spectra directly from any molecular structure.
IR & MS Readers
Interpret IR fingerprint regions and predict isotopic distributions in mass spectrometry data.
Molecule Identifier
The flagship tool: combine NMR, IR, and MS data to automatically generate and rank candidate molecular structures.
Daily Challenge
Not ready to sign up yet?
Try today's NMR Daily Challenge — a new unknown molecule every day. Analyze the spectra and guess the structure. No account needed.
Try today's challengeBuilt for chemists Who uses MID
Students
Learn spectroscopy by predicting spectra from structures you already know, and sharpen your skills with the Daily Challenge.
Researchers
Accelerate structure elucidation by cross-referencing NMR, IR, and MS data in a single integrated platform.
Educators
Generate teaching examples, compare predicted versus experimental spectra, and create problem sets instantly.
From the blog
See the tools in action
Step-by-step worked examples showing how to assign NMR signals, interpret chemical shifts, and get the most out of each tool — using real molecules and real spectra.
Read the blogPrivacy-respecting by architecture
Uploaded spectra are processed entirely in memory and discarded immediately after analysis — nothing is stored on our servers. Your chemical data stays yours.