4,4-二甲基-2-環(huán)己基-1-酮(1073-13-8)ESR圖譜
InChI:InChI=1S/C8H12O/c1-8(2)5-3-7(9)4-6-8/h3,5H,4,6H2,1-2H3
InChIKey: HAUNPYVLVAIUOO-UHFFFAOYSA-N
Smiles:C1(=O)CCC(C)(C)C=C1
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Assign. Shift(ppm)
A 6.659
B 5.836
C 2.455
D 1.873
E 1.169
Assigned with HMQC and HMBC.
Spectral Code: 1H NMR : in CDCl3
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ppm Int. Assign.
199.61 95 1
159.85 297 2
126.86 380 3
36.11 375 4
34.40 442 5
32.83 156 6
27.71 1000 7
Assigned with HMQC and HMBC.
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: ESR : ANION RADICAL, RED. WITH K IN LIQ. NH3, -60C