Spectra by ROMBO AI Try
Documentation Docs home Getting started Supported data Preparing data Running an analysis Understanding results Evidence and confidence Limitations Data handling Troubleshooting FAQ Glossary Account and billing Records and exports

Documentation

Supported data

NMR nuclei and file families for Spectra.

Input specification

Input Role in Spectra Published support
1H NMR Primary evidence for the structure shortlist Supported
13C NMR Carbon evidence and residual comparison Supported
HSQC 1H–13C correlations in the same project Optional
COSY 1H–1H correlations in the same project Optional
HMBC Long-range correlations in the same project Optional
TOCSY Spin-network correlations in the same project Optional
NOESY Spatial-proximity correlations in the same project Optional

1H and 13C carry the structure shortlist. The 2D experiments add correlations to that same project. The teaching example uses 1H + 13C at 600 MHz.

Source families

  • Bruker

  • JEOL

  • Varian

Exchange format

  • JCAMP-DX

Processing state

  • Processed spectra can skip preprocessing and continue to review.
  • Imported correlation lists can enter the peak-picking stage.
  • A raw 2D file that needs a processing recipe stops and requests the missing fields.
  • A file attached in chat is not added to the project dataset.

Before the first real sample

State the solvent and the spectrometer frequency. You can enter formula, exact mass, solvent and an expected structure under Additional information before identification.

Before standardising a method, email contact@rombo.ai about 1H-only use, a benchtop or low-field spectrometer, a project containing only 2D spectra, a very large file, or an undocumented vendor dialect. Other nuclei sit outside the current published support matrix. Preparation checks are in preparing NMR data.

Metadata

Required in practice: the spectrum itself and enough context to interpret it (at least nucleus and, when known, solvent and field).

Recommended: analytical objective (verification, impurity, dereplication, unknown), proposed structure if you are verifying, mixture vs isolated material.

Optional context: molecular formula, exact mass or MS, synthetic route notes.

Confirm with us before purchase

  • Other vendor export dialects
  • Projects that contain only 2D spectra
  • Very large datasets or private-library evaluation