Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Research Support, Non-U.S. Gov’t, Journal of Magnetic Resonance called Accurate measurement of small heteronuclear coupling constants from pure-phase α/β HSQMBC cross-peaks, Author is Gil, Sergi; Espinosa, Juan Felix; Parella, Teodor, which mentions a compound: 600-05-5, SMILESS is O=C(O)C(Br)CBr, Molecular C3H4Br2O2, SDS of cas: 600-05-5.
A simple proton-selective α/β-HSQMBC experiment is proposed for the accurate measurement of long-range proton-carbon coupling constants (n J CH) in small mols. without need for an individualized and time-consuming post-processing fitting procedure. The method acquires two pure-phase In-phase (IP) and Anti-phase (AP) multiplets completely free of any phase distortion due to the absence of J HH evolution. Accurate n J CH values can be directly measured analyzing the relative displacement of the resulting IPAP cross-peaks. Discussion about signal intensity dependence and cross-talk is made for a range of exptl. conditions. The robustness of the method is evaluated by comparing the n J CH value measured from the anal. of the three available IP, AP and IPAP multiplet patterns. Multiple-frequency and region-selective versions of the method can also be efficiently recorded provided that excited protons are not mutually coupled.
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Reference:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem