2-ETHYLHEXANAL(123-05-7) 1H NMR
Molecular FormulaC8H16O
Molecular Weight128.21
InChIInChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3
InChIKey LGYNIFWIKSEESD-UHFFFAOYSA-N
SmilesC(=O)C(CC)CCCC
-
Mass
MS-NW-4283
2-ethylhexanal
C8H16O (Mass of molecular ion: 128)
Source Temperature: 240 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
27.0 15.3
28.0 1.4
29.0 23.8
39.0 9.0
40.0 1.3
41.0 34.3
42.0 4.5
43.0 40.3
44.0 2.1
53.0 2.0
54.0 3.0
55.0 10.9
56.0 3.6
57.0 81.5
58.0 4.5
67.0 1.5
68.0 1.0
69.0 2.1
70.0 1.0
71.0 5.4
72.0 100.0
73.0 5.2
81.0 1.0
82.0 2.5
85.0 2.7
100.0 1.1
128.0 1.3