Spectral Analysis of Organic Unknown Using the four spectrums taken help me fill

Question

Spectral Analysis of Organic Unknown Using the four spectrums taken help me fill this out. Liquid Spectral Report Elemental Analysis Result (YIN) N H Lo IF IBr others specify) 1. Mass Spectrum: M/Z Relative Intensity Interpretation 2. RSpect Method KBrupelleAMMANegt select one rum: nificant Fr 3. NMR Spectrum: Solvent: HNMR 60ppm) Integration multiplicity (s, d, t q, m, brrbrood) Coupling Assignment constants type of proton) sacNMR (if done) 5(ppm) Assignment (type of 4. Probable Compound and structure:

Explanation / Answer

From 1H NMR

0.809 ppm = CH3 aliphatic

1.14 to 1.19 ppm = CH2 group attached to CH3

2.048 to 2.1 ppm = CH2 group attached to double bonded C i.e. C=C or attached to C which is attached to more electronegative atom

4.8 to 4.9 ppm = C-H attached to electrronegative atom i.e. figghly deshielded aliphatic CH group

7.268 ppm = OH attached to secondary C

!3C NMR spectra

11 ppm= CH3 aliphatic

22 ppm =CH3 group attached to or is in close vicinity of more electronegative atom like O, N Cl etc i.e. slightly deshielded

37 ppm = CH2 group attached to double bonded C i.e. C=C or attached to C which is attached to more electronegative atom

77 ppm = C-H attached to electrronegative atom i.e. figghly deshielded aliphatic CH group

171 ppm = C=C or ester C=O or hydroxyl OH

From FT-IR spectrum

3463 cm-1 = amine or hydroxyl group

2962 cm-1 and 2957 cm-1 = asymmetric and symmetric C-H stretchings resp

1743 cm-1 = carbonyl group

From Mass spectral analysis

M+ ion = 70

Base peak at 74

disintegration pattern suggests that at M+ = 57 (15%concentration) and M+ = 55 (40% caocentration)

it suggest 74-57 = 17 suggests loss of -OH

molecular ion peak i.e. 70-55 = 15 suggests loss of -CH3 group

It is confirm from Mass spectr that molecule must have OH and Ch group which disintegrates from molecule very easily.

also weight of molecule is 74 Dalton

Hence probable structure of liquid is 2-Butanol

3HC-CH2-CH(OH)-CH3

0.8 2.8 4.1 7.2 1.4 (these are respective ppm scale values of proton NMR given below eac proton)

Ope you find the answer useful

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