What data is this based on?

The data is primarily sourced from the seminal paper by Fulmer et al., 'NMR Chemical Shifts of Trace Impurities: Common Laboratory Solvents, Organics, and Gases in Deuterated Solvents Relevant to the Organometallic Chemist', Organometallics 2010.

Can I filter by multiplicity?

Yes! You can select a splitting pattern (s, d, t, q, m) to narrow down your results.

Interactive Fulmer et al. solvent shifts table and MestReNova peak parser.

NMR Solver

Jaconir Lab Professional

Reaction Solvent

Observed Shift (ppm)

Multiplicity (Splitting)

± 0.05 ppm

Solvent Properties

CDCl3

Boiling Point

61.2°C

Density

1.5 g/mL

Residual Proton

7.26 ppm

Water Peak

1.56 ppm

Why use this tool?

Faster than PDF tables
Smart fuzzy matching
Mobile optimized

Possible Matches

0 found

Enter a peak shift to view impurities.

Data Source: Fulmer et al., Organometallics 2010.
This tool finds approximate matches. Always verify with original spectra.

Report a missing peak

How to Identify Unknown NMR Peaks Online

Finding trace solvent peaks in NMR (like that frustrating water peak at 1.56 ppm in CDCl3) usually requires digging through static PDFs or printed reference charts. This tool digitizes the industry-standard Fulmer et al. (2010) Organometallics reference into a high-performance, interactive 1H and 13C NMR solvent shifts table. It is designed for modern researchers who need to identify unknown nmr peaks online without the friction of manual lookup.

The MestReNova Peak List Parser

Our specialized 'Bulk Analysis' feature allows you to identify trace solvent peaks nmr by pasting raw peak lists directly from Bruker TopSpin or Mestrelab Mnova (MestReNova). The underlying regex matches and algorithms automatically strip common formatting artifacts like multiplicities (s, d, t, q, m) and J-couplings (Hz) to isolate the core chemical shifts. This allows you to cross-reference multiple impurities against the entire 13c nmr solvent shifts table simultaneously.

100% Local & Private

We understand that research data is highly sensitive. This tool functions as a completely static, client-side calculator. Your proprietary molecular data and chemical shift peak lists never leave your browser sandbox and are never transmitted to any external server. Complete privacy for your experimental structural data.

Frequently Asked Questions

How do I interpret NMR shifts for unknown samples?

Start by referencing the residual solvent peak (e.g., 7.26 ppm for CDCl3). Once referenced, match your unknown peaks against this table. If a peak matches but the splitting (singlet vs multiplet) is wrong, it might be a different compound with a similar shift.

Why are 13C shifts less sensitive to solvent than 1H?

13C nuclei are shielded by a larger electron cloud and are less involved in external hydrogen bonding compared to protons, making their chemical shifts more stable across different deuterated solvents.

Can I export my results?

Currently, you can copy the matched results directly. We recommend cross-referencing these with the original Fulmer et al. (2010) publication for formal reporting.

Is this tool mobile-friendly?

Yes, the solver is fully responsive. Researchers can use it directly on their smartphones while at the spectrometer to quickly identify unknown trace peaks.