High-field NMR characterization and indirect J-spectroscopy of a nuclear spin chain [U-13C, 15N]-butyronitrile

One-dimensional chains of coupled spins are minimal models of strongly correlated quantum matter, and have been proposed as wires for transporting quantum information. In liquids, rapid molecular tumbling averages anisotropic dipolar couplings and leaves effective isotropic scalar $J$-coupling Hamiltonians. At zero- to ultralow-field (ZULF) conditions, differences in frequency between nuclear spins of different types are quenched and the internal Hamiltonians can be closely approximated by an isotropic Heisenberg model. In this work, we present [U-$^{13}$C,$^{15}$N]-butyronitrile as a chemically engineered nuclear spin chain whose full spin-spin coupling network can be determined and validated by combining high-field NMR detection with evolution at ultralow fields. Starting from high-field (16.4 T) NMR spectra of $^1$H, $^{13}$C, and $^{15}$N nuclei, we extract all relevant $J$-couplings within a 12-spin network (four $^{13}$C, one $^{15}$N, and seven $^1$H). We then employ a mechanical field-cycling apparatus to prepolarize the spins at high field, shuttle them into a magnetically shielded region for evolution at