Help with one and two Pharmaceutical Chemistry 233Practical 4b (Spectroscopy assignment)The following spectroscopic data were obtained for compound X (molecular formula C10H140), a naturalproduct.UV spectrumA broad and intense peak at 276 nm is observedIR spectrumThymol80T60mi40-20-350030002500200015001000WavenumbersMS spectrum (EIMS)MASS SPECTRUM100806040200.00.04080120160m/zNMR spectrum'H NMR spectrum6 H3H1H3H1H1ppmRel. Intensity Answer the following questions in relation to compound X (not general theory)Calculate the double bond equivalenceWhat structural information may be deduced from the UV data?1.2.What structural information may be deduced from the IR spectrum?What structural information may be deduced from the mass spectrum?Tabulate the NMR data as follows:3.4.5.Chemical shift Multiplicity(8)IntegrationStructural information1.32.33.24.76.556.77.16. Propose a structure for compound X. Explain your reasoning clearly.

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Organic Chemistry

9th Edition

ISBN:9781305080485

Author:John E. McMurry

Publisher:John E. McMurry

Chapter13: Structure Determination: Nuclear Magnetic Resonance Spectroscopy

Section13.SE: Something Extra

Problem 31AP: When measured on a spectrometer operating at 200 MHz, chloroform (CHCl3) shows a single sharp...

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Help with one and two

Pharmaceutical Chemistry 233
Practical 4b (Spectroscopy assignment)
The following spectroscopic data were obtained for compound X (molecular formula C10H140), a natural
product.
UV spectrum
A broad and intense peak at 276 nm is observed
IR spectrum
Thymol
80
T
60
m
i
40-
20-
3500
3000
2500
2000
1500
1000
Wavenumbers
MS spectrum (EIMS)
MASS SPECTRUM
100
80
60
40
20
0.0
0.0
40
80
120
160
m/z
NMR spectrum
'H NMR spectrum
6 H
3H
1H
3H
1H
1
ppm
Rel. Intensity

Answer the following questions in relation to compound X (not general theory)
Calculate the double bond equivalence
What structural information may be deduced from the UV data?
1.
2.
What structural information may be deduced from the IR spectrum?
What structural information may be deduced from the mass spectrum?
Tabulate the NMR data as follows:
3.
4.
5.
Chemical shift Multiplicity
(8)
Integration
Structural information
1.3
2.3
3.2
4.7
6.55
6.7
7.1
6. Propose a structure for compound X. Explain your reasoning clearly.

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