NMR Solvent Peak Reference

Quickly reference and calculate NMR chemical shifts for common laboratory solvents. For students, researchers, and technicians. This tool works entirely offline, supports scientific notation, and includes unit-aware checks.

Educational only. Follow your lab SOPs and SDS.

Reference & Calculator

Select Solvent

¹H Reference δ (ppm)

Typical value for selected solvent. Use dot or comma.

¹³C Reference δ (ppm)

Typical value for selected solvent.

Spectrometer Frequency (MHz)

Observed Shift (ppm or Hz)

Results

Relative Shift (Δδ)

0.00 ppm

Relative to selected solvent reference.

Intermediate Values

Reference ¹H: 7.26 ppm
Reference ¹³C: 77.16 ppm
Field: 400.0 MHz
Observed: —

About NMR Solvent Peaks

Solvent peaks are essential internal references for NMR spectroscopy. This tool helps you quickly convert between observed shifts (in ppm or Hz) and shifts relative to a standard reference, ensuring consistent reporting across instruments and conditions.

Step‑by‑Step Usage

Select your solvent from the dropdown (values pre‑filled).
Enter your spectrometer frequency (e.g., 400 MHz).
Enter the observed shift—either in ppm or Hz (the tool auto‑detects based on magnitude).
Click “Calculate Relative Shift” to get Δδ (ppm) relative to the solvent reference.
Use “Swap Reference/Observed” if you want to back‑calculate an observed shift from a desired Δδ.

Examples

Scenario	Inputs	Result
CDCl₃, 500 MHz, observed peak at 1000 Hz	Ref = 7.26 ppm, Field = 500, Obs = 1000	Δδ = (1000/500) − 7.26 = −5.26 ppm
DMSO‑d₆, 300 MHz, desired shift 2.50 ppm from TMS	Ref = 2.50, Field = 300, Obs = 2.50 (ppm)	Δδ = 2.50 − 2.50 = 0.00 ppm (on reference)

Common Solvent Reference Table

Solvent	¹H δ (ppm)	¹³C δ (ppm)	Notes
CDCl₃	7.26	77.16 (triplet)	Most common, residual CHCl₃ at 7.26
DMSO‑d₆	2.50	39.52 (septet)	Hygroscopic, broad water peak if wet
Acetone‑d₆	2.05	29.84 (septet), 206.26 (C=O)	Residual acetone at 2.05

Common Mistakes Checklist

Using wrong reference value for your solvent batch (check supplier).
Forgetting to lock on the solvent peak before referencing.
Confusing Hz and ppm when entering observed shift.
Not accounting for temperature dependence (shifts drift ~0.01 ppm/°C).
Using proton reference for carbon spectra (or vice versa).

Quick NMR Unit Converter

Convert between ppm and Hz for any field strength.

Field Strength (MHz)

Chemical Shift (ppm)

Frequency (Hz)

Changing any field updates the others. Conversion: Hz = ppm × MHz.

Frequently Asked Questions

Q: How accurate are these reference values?

Values are typical for pure, dry solvents at 25 °C. Actual values can vary ±0.05 ppm due to temperature, concentration, and instrument calibration. Always reference internally when possible.

Q: Can I use this for nuclei other than ¹H and ¹³C?

The same principle applies, but you must use the appropriate reference for that nucleus (e.g., ³¹P: 85% H₃PO₄ at 0 ppm). This tool currently only handles ¹H and ¹³C explicitly.

Q: Why does my solvent peak appear as a multiplet?

Deuterated solvents show coupling to deuterium (I=1), giving triplets for ¹H (residual) and septets for ¹³C. The reference δ is the center of the multiplet.

Q: What if my solvent isn’t listed?

Select “Custom Solvent” and enter the known reference values manually. Consult literature or your solvent supplier for accurate numbers.

Formulas & Assumptions

Main conversion: Δδ (ppm) = δ_obs (ppm) – δ_ref (ppm). If δ_obs is in Hz: δ_obs (ppm) = δ_obs (Hz) / Spectrometer frequency (MHz).
Assumptions: Linear shift referencing; no second‑order effects; dilute, non‑interacting solute; ideal Lorentzian lineshape.
Rounding: Results rounded to 4 decimal places for ppm, 2 for Hz. Inputs parsed with dot/comma support.
Constants: 1 MHz = 10⁶ Hz. No other physical constants used.

Disclaimer: For informational and educational purposes only. Estimates depend on your inputs and simplifying assumptions. This tool does not replace professional judgment, lab SOPs, or safety procedures. Always follow SDS guidance and institutional policies.

Sources & References: Common NMR solvent reference tables (Gottlieb, Kotlyar, Nudelman); standard unit conversions and lab measurement best practices; general analytical chemistry and uncertainty concepts; laboratory safety basics and SDS principles.

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NMR Solvent Peak Reference

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