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To calculate the degree of conversion from IR spectra, correlation between 1H NMR and IR data was found.
The aglucone of compound 2 was an analogue compound of 1, and the HMBC spectra correlation between H-1′ and C-7 confirmed the position of glucopyranosyl moiety.
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The Mantel test was used to test for correlation between intersample distances calculated as a function of REE abundance and XRD spectra correlations.
The side chain was determined to be 2- methylbutan-1-one by the 1H-1H COSY and TOCSY spectra, revealing the 1H -1 H spin systems of H-10/H-11/H-12 and H-10/H-13, and the HMBC spectra correlations of H-12/C-10 H-12/C-10 H-12/C-109 and H-12/C-11 (Fig. 2).
For locating the wavelength ranges where inter-class spectra (AF and RD) differ the most, another algorithm was developed based on the comparison of mean spectra correlations.
Comparing the goodness-of-fit scores of authentic MS/MS spectra versus random or noise spectra [ 27, 28] shows that the score distributions of real spectra correlations can be easily separated from false positive results [ 27, 28] so long as the data are collected with a high signal to noise ratio [ 10- 12].
The uncertainties of the regression are not reported here because the intention of this study was to demonstrate the presence of a composition-spectra correlation.
In[18], the spectrum correlation function (SCF) (also known as cyclic spectrum). of each narrowband signal was analyzed individually.
This acetate was located at the position C-9′ based on the HMBC spectrum correlation between H-9′ and C-10′.
In the HMBC spectrum, correlation of the methoxy protons at δH 3.81 with C-6 (δC 159.7) indicated its location on C-6.
The dyanamic behavior of local heat transfer was characterized by frequency domain and state-space analysis in terms of power spectrum, correlation dimension and Kolmogorov entropy.
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