4-十二酮(6137-26-4)红外图谱(IR1)
InChI:InChI=1S/C12H24O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h3-11H2,1-2H3
InChIKey: AVQSOIZWTINZLU-UHFFFAOYSA-N
Smiles:CCCC(=O)CCCCCCCC
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Assign. Shift(ppm)
A 2.37
B 1.58
C 1.56
D 1.27
E 0.91
F 0.88
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
211.06 317 1
44.75 601 2
42.88 623 3
31.93 601 4
29.42 1000 5 *
29.25 749 6 *
23.98 667 7
22.72 634 8
17.41 645 9
14.07 563 10
13.80 585 11
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film