Examples of Formulas

See also Entering Formulas.

The following are examples of formulas that can be entered on the formula line:

Formula Description
C6H6 Benzene. A basic formula.
nacl Sodium Chloride. Program will capitalize nacl to NaCl for you.
FeCl3-6H2O Iron Chloride with 6 hydrates attached (shows use of dashes for hydrates)
4FeCl3-6H2O Four units of Iron Chloride for every six hydrates
Al(OH)3 Aluminum and 3 hydroxide groups (shows use of parentheses)
HC(C(CH3)3)3 Carbon with three C(CH3)3 groups attached (shows use of embedded parentheses)
HC[C(CH3)3]3 When the "Treat Brackets as Parentheses" option is on, brackets and parentheses can be used interchangably to more easily represent subgroups.
Et2O Diethyl Oxide (shows use of an abbreviation)
^13C6H6 Carbon-13 labeled benzene (shows use of isotopes)
^78.918Br Bromine 79 with a specific isotopic mass
[.2Na]Cl Only one fifth of a sodium atom exists for each chlorine atom (shows use of brackets)
Na.2Cl Same as previous example, but without brackets.
C6H6-[xH2O] Benzene with an unknown amount of water, denoted by the x. Use with percent solver calculations.
HGlyLeuTyrOH A peptide containing three residues (amino acids). Note that an H must added to the beginning and an OH to the end to obtain the correct molecular weight.
C6H5Cl>HCl Example of Element Subtraction: One atom of H and one atom of Cl are removed from C6H5Cl to give C6H4.

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