辛酸甲酯(111-11-5)紅外圖譜(IR1)
InChI:InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
InChIKey: JGHZJRVDZXSNKQ-UHFFFAOYSA-N
Smiles:C(OC)(=O)CCCCCCC
-
Mass
MS-NW-1743
methyl octanoate
C9H18O2 (Mass of molecular ion: 158)
Source Temperature: 220 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 11.7
18.0 1.0
27.0 15.6
28.0 3.5
29.0 19.7
31.0 2.1
39.0 11.2
40.0 2.2
41.0 30.7
42.0 8.7
43.0 24.2
44.0 1.3
45.0 2.4
53.0 2.2
54.0 1.3
55.0 17.3
56.0 3.4
57.0 17.4
59.0 11.9
67.0 1.7
69.0 6.7
70.0 1.6
73.0 2.2
74.0 100.0
75.0 7.6
83.0 2.3
84.0 2.9
87.0 37.5
88.0 4.1
97.0 1.4
98.0 1.7
101.0 5.8
115.0 6.7
127.0 8.9
129.0 3.0
158.0 1.7