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High-resolution mass spectrometry is an excellent method for determining the molecular formulas of organic compounds.
From the molecular formulas of these dyes, Hofmann showed that aniline blue was fuchsine with three more phenyl groups (−C6H5), but the chemical structures were still unknown.
In contrast, both ethylene and propylene have the same empirical formula, CH2, because they are both composed of carbon and hydrogen atoms in a ratio of 1 to 2. In some cases, such as water, the empirical and molecular formulas of a substance may be identical.
Specifically, species with four and five oxygen atoms were probed, having molecular formulas of C8H14O4 (e.g., diketo-hydroperoxide/keto-hydroperoxy cyclic ether) and C8H16O5 (e.g., keto-dihydroperoxide/dihydroperoxy cyclic ether), respectively.
The molecular formulas of the substances used in the formulation.
Similarly, mass spectra displayed the molecular ions corresponding to the respective molecular formulas of prepared compounds.
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Strychnine has a molecular formula of C21H22N2O2.
It has a molecular formula of Ca(Mn,Fe Si2O6.
The molecular formula of 3 was determined to be C20H28O4 based on the HRESIMS at m/z 331.1893 [M H]−.
Finally, the total mass was converted in mole using a molecular formula of C4H7O2N for the dry mass46.
Potassium aluminum sulfate, also known as potassium alum or potash alum, has a molecular formula of K2 SO4 ·Al2 SO4 3·24H2O or KAl SO4 2·12H2O.
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