5-METHYL-3-HEXEN-2-ONE(5166-53-0) Raman
Molecular FormulaC7H12O
Molecular Weight112.17
InChIInChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3
InChIKey IYMKNYVCXUEFJE-UHFFFAOYSA-N
SmilesCC(=O)C=CC(C)C
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Mass
MS-NW-8806
5-methyl-3-hexen-2-one
C7H12O (Mass of molecular ion: 112)
Source Temperature: 280 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
15.0 3.6
18.0 1.9
26.0 1.1
27.0 10.1
28.0 1.9
29.0 3.1
38.0 1.0
39.0 12.1
40.0 2.0
41.0 82.0
42.0 5.4
43.0 100.0
44.0 2.5
50.0 1.3
51.0 2.6
52.0 1.2
53.0 7.8
54.0 2.2
55.0 10.3
58.0 1.7
59.0 1.1
65.0 1.0
67.0 5.2
68.0 2.8
69.0 46.0
70.0 7.1
71.0 3.2
77.0 1.6
79.0 4.4
81.0 1.3
83.0 1.4
97.0 51.0
98.0 3.7
111.0 1.4
112.0 44.7
113.0 4.6