丁酸辛酯(110-39-4)核磁图(1HNMR)
InChI:InChI=1S/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3
InChIKey: PWLNAUNEAKQYLH-UHFFFAOYSA-N
Smiles:C(OCCCCCCCC)(=O)CCC
-
Mass
MS-NW-1753
octyl butyrate
C12H24O2 (Mass of molecular ion: 200)
Source Temperature: 240 °C
Sample Temperature: 180 °C
Direct, 75 eV
27.0 22.2
28.0 4.8
29.0 23.3
31.0 1.4
32.0 1.1
39.0 11.2
40.0 2.3
41.0 51.5
42.0 23.6
43.0 100.0
44.0 3.4
45.0 1.7
53.0 2.0
54.0 3.5
55.0 30.7
56.0 39.2
57.0 33.0
58.0 1.6
60.0 5.3
61.0 3.4
67.0 2.5
68.0 6.7
69.0 23.7
70.0 41.7
71.0 76.5
72.0 3.4
73.0 3.2
82.0 6.5
83.0 24.1
84.0 25.2
85.0 3.6
86.0 1.2
88.0 5.3
89.0 60.2
90.0 2.6
97.0 3.4
98.0 1.3
101.0 1.7
111.0 1.6
112.0 19.5
113.0 1.9
144.0 1.2