a) Determine the molecular formula (MF CaHar) from the molecular ion on the MS u

Question

a) Determine the molecular formula (MF CaHar) from the molecular ion on the MS using the Rule 13 where (MW / 13) = n + r. Since the M +2 peak indication that the compound contain a responsible for the relation M+2 1/3M. Make also a one oxygen substitution. unsaturation (U) Identify the possible structure or formula of BP using the MS data table. Identify each structural correlation table provided. Draw possible structure(s) for substance Y in the box below: is approximately 1/3 of the intensity of the molecular peak, this is a atom. Make the necessary substitution for the atom Calculate the degrees of for the molecular formula you obtain after substitution. Show your calculation on the MS. b) unit represented by the designated bands (A, B, C, D, E) on the IR spectrum using the c) 100 128 13 MF after Substitution: 80 n= 60 130 20 93 76 25 50 100 125 m/z

Explanation / Answer

According to rule 13: Molecular ion peak/ 13 gives Quotient (q) and remainder (r):

Rough formula from rule 13 : Cq Hr

For above case: Rough formula for molecular ion peak is C9 H20

Since the M+2 peak is approximately 1/3 of the instensity of the molecular peak, this is a indication that the compound contain a Chlorine atom.

therefore the formula becomes : C9 H20 + Cl - C2H11 = C7 H 9 Cl

C2 H 11 corresponds to atomic weight of 35 which is equal to Cl atom

Now since there is a O atom also: the molecular formula becomes: C7 H 9 Cl + O - C H 4 : C8 H 5 Cl O

DBE = 6

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