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Heteronuclear multiple bond connectivity.
Their structures were confirmed by 700 MHz Bruker, BioSpin nuclear magnetic resonance (NMR) analysis including one-dimensional 1H NMR, 13C NMR and two-dimensional NMR-correlation spectroscopy (COSY), hetero-nuclear single quantum coherence (HSQC), and heteronuclear multiple bond connectivity (HMBC).
A cross peak between C-9 and the methyl proton was observed by a heteronuclear multiple bond connectivity (HMBC) experiment.
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The H and C peak assignments were made based on analysis of these data using the single and multiple bond connectivities these experiments reveal.
Consequently, Open Babel features methods to determine bond connectivity, bond order perception, aromaticity determination, and atom typing.
Note that this format does not include any bond connectivity information.
The hydrogen bond connectivity array for triamterene is presented in Fig. 3.
After bond connectivity is determined, if needed or requested by the user, bond order perception is performed on the basis of bond angles and geometries.
Fig. 5 Heteronuclear multiple bond correlation (HMBC) of DNPH-glucose.
Interpretation of the hydrogen bonding in triamterene was carried out using a combination of hydrogen bond connectivity, topology and graph set analysis.
Wang and Case applied a recursive algorithm to assign bond types using the atom symbols and bond connectivity table as input.
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