5-甲基-2-己酮(110-12-3)核磁圖(1HNMR)
InChI:InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
InChIKey: FFWSICBKRCICMR-UHFFFAOYSA-N
Smiles:CC(=O)CCC(C)C
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Mass
MS-NW-1661
5-methyl-2-hexanone
C7H14O (Mass of molecular ion: 114)
Source Temperature: 250 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 4.6
18.0 1.0
27.0 9.3
28.0 1.6
29.0 7.1
39.0 7.0
40.0 1.0
41.0 13.3
42.0 2.1
43.0 100.0
44.0 2.4
53.0 1.3
55.0 4.1
56.0 3.8
57.0 14.8
58.0 50.2
59.0 12.4
71.0 9.6
72.0 1.2
81.0 4.8
85.0 1.4
86.0 1.2
99.0 2.3
114.0 4.3