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DR ANTHONY MELVIN CRASTO, WORLDDRUGTRACKER

Ethyl 3-oxohexanoate エチル=3-オキソヘキサノアテ NMR

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Jul 062014
 

 

Ethyl 3-oxohexanoate

Cas Number: 3249-68-1

Formula: C8H14O3

The Journal of Organic Chemistry, 44, p. 310, 1979 DOI: 10.1021/jo01316a039

C8H14O3
Rule 2, omit O, gives C8H14
8 – 14/2 + 1 = 2 degrees of unsaturation.
Look for 2 pi bonds or aliphatic rings, or 1 of each.

 

Structure answer

NMR answer

Even though A, B, C and D are all 2H peaks, they can be distinguished by chemical shift and splitting. B is outside the normal range for protons next to carbonyls, because it’s adjacent to both carbonyls and the combined deshielding is higher than normal.

The bands at 1745 and 1716 indicate that there are two carbonyls, probably an aliphatic ester and an aliphatic ketone. The bands at 3000-2850 indicate C-H alkane stretches.

H1 NMR Spectrum: Predict NMR spectrum

 

丁酰乙酸乙酯

ir

 

IR spectrum

 

The bands at 1745 and 1716 indicate that there are two carbonyls, probably an aliphatic ester and an aliphatic ketone. The bands at 3000-2850 indicate C-H alkane stretches.

 

 

MASS

 

丁酰乙酸乙酯

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