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Experimental (Exp) and calculated (Cal) singlet state decay rates (TS−1) for 13C2-I. The experimental results are for a degassed solution in [D6]acetone. The individual simulated contributions of spin-internal-motion (SIM), intramolecular dipolar (iDD), symmetric (CSA+), and antisymmetric (CSA−) chemical shift anisotropy, and singlet–triplet leakage (STL) relaxation are shown.
