Toluene ¹H NMR Spectrum

Explore the HQSpectrum-simulated ¹H NMR spectrum of toluene at 80 MHz. Toluene is also known as methylbenzene.

HQSpectrum-simulated ¹H NMR spectrum of toluene at 80 MHz, with aromatic signals and a separate lower-ppm signal
HQSpectrum-simulated ¹H NMR spectrum of toluene at 80 MHz. No measured spectrum is shown.

Which nuclei contribute to the spectrum?

HQSpectrum uses matching colors to connect selected nuclei in the molecule drawing to their simulated signals. The contribution view helps you see which nuclei contribute to a peak, including individual parts of peaks where signals overlap. It shows selected calculated contributions, not a complete atom-by-atom assignment.

Color-coded spin contributions for toluene at 80 MHz, connecting selected aromatic nuclei with overlapping simulated signals
Selected aromatic nuclei and their color-coded simulated contributions in the expanded aromatic region at 80 MHz.

The 80 MHz simulation shows a cluster of signals in the aromatic region and a separate narrow signal at lower ppm.

Compare with your spectrum or explore another frequency

Both images show an 80 MHz simulation. Chemical shifts are expressed in ppm, while multiplet appearance can change with field strength, particularly at low field. Typical ¹H NMR frequencies include 60, 80, 300, 400 and 500 MHz.

In HQSpectrum, set a different spectrometer frequency to explore how the simulated pattern changes. You can also import your own experimental spectrum and compare it with a simulation. Calculated chemical shifts can differ from measured values, so HQSpectrum lets you examine the pattern and adjust the comparison in the tool.

Open HQSpectrum to compare your spectrum or change frequency.

Compare your spectrum or change frequency in HQSpectrum