Hyperpolarization techniques are particularly suitable in combination with benchtop NMR spectrometers. For SABRE-based hyperpolarization, polarization transfer is facilitated through a scalar coupling network between hydrides and nuclei in ligated target molecules that bind to the same polarization transfer catalyst (PTC). Our paper is centered around acetonitrile (ACN) as a target molecule of SABRE polarization. First, it is a small and simple molecule where different combination of NMR-active nuclei can be present at natural isotopic abundance (e.g., H, 1 H/ C, 1 H/ N, 1 H/ C/ 15 N).