Question

Deduce the identity of the following compound from the spectral data given. C3H4BrN: H NMR, δ 2.98 (2H, triplet), 3.53 (2H, triplet) 13C NMR, δ 21.05 (triplet), 23.87 (triplet), 118.08 (singlet) (ppm):JR, 2963, 2254 cm" Express your answer as a chemical formula.

Answer 1

Answer: Br-CH₂-CH₂-C≡N (3-bromopropanenitrile)

Explanation:

The question tells us to " Deduce the identity of the following compound from the spectral data given. C3H4BrN: H NMR, δ 2.98 (2H, triplet), 3.53 (2H, triplet) 13C NMR, δ 21.05 (triplet), 23.87 (triplet), 118.08 (singlet) (ppm):JR, 2963, 2254 cm" Express your answer as a chemical formula".

Answer: Another Alternative to this is seen below

The Double Bond Equivalent of C₃H₄BrN = 3+1-4/2-1/2+1/2 = 2

2254 cm-1 Vc ≡N [IR analysis]

2963.4 = sp³Vc-H streek [IR analysis]

• N≡C-CH₂-CH₂-Br (C₃H₄NBr)

where the first CH₂ = b = 2.98 (2H,triplet) and

the second CH₂ = a = 3.53 (2H,triplet)

Note: where both are 1HNMR.

• N≡C-CH₂-CH₂-Br

where C = c = 118.08 (singlet)

CH₂ = b = 21.05 (triplet)

CH₂ = a = 23.87 ( triplet)

Note: where all are 13CNMR

Important:

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