Chemistry · Spectroscopy
Consider the proton-coupled carbon-13 (13C) NMR spectrum of sodium trimethylsilylpropanesulfonate (DSS), a common internal chemical shift standard used in NMR studies of proteins. DSS has the molecular structure (CH3)3Si-CH2-CH2-CH2-SO3-Na+, where the carbons can be sequentially labeled from the silicon side to the sulfonate side. In a fully proton-coupled 13C spectrum, peak splitting occurs due to 1H-13C coupling. Which of the following represents the correct assignment of the NMR peaks (labeled 1 to 4 based on increasing chemical shift, i.e., from right to left or upfield to downfield) to the respective carbon atoms of DSS?
- 1peak 1 - central CH2, peak 2 - CH2 adjacent to SO3-, peak 3 - CH2 adjacent to Si, peak 4 - trimethylsilyl carbons
- 2peak 1 - CH2 adjacent to SO3-, peak 2 - central CH2, peak 3 - CH2 adjacent to Si, peak 4 - trimethylsilyl carbons
- 3peak 1 - trimethylsilyl carbons, peak 2 - CH2 adjacent to Si, peak 3 - central CH2, peak 4 - CH2 adjacent to SO3-✓
- 4peak 1 - trimethylsilyl carbons, peak 2 - alpha-CH2, peak 3 - beta-CH2, peak 4 - gamma-CH2 carbons
Correct answer
peak 1 - trimethylsilyl carbons, peak 2 - CH2 adjacent to Si, peak 3 - central CH2, peak 4 - CH2 adjacent to SO3-
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