辛二酸(505-48-6)紅外圖譜(IR1)
InChI:InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
InChIKey: TYFQFVWCELRYAO-UHFFFAOYSA-N
Smiles:C(O)(=O)CCCCCCC(O)=O
-
Mass
MS-NW-4770
suberic acid
C8H14O4 (Mass of molecular ion: 174)
Source Temperature: 160 °C
Sample Temperature: 120 °C
Direct, 75 eV
15.0 2.5
17.0 1.0
18.0 5.6
26.0 2.4
27.0 27.9
28.0 10.2
29.0 21.0
30.0 1.2
31.0 6.1
38.0 1.1
39.0 18.2
40.0 3.3
41.0 59.9
42.0 14.6
43.0 31.2
44.0 1.4
45.0 19.6
51.0 1.3
53.0 4.8
54.0 6.1
55.0 57.4
56.0 9.8
57.0 4.5
58.0 3.8
59.0 7.7
60.0 79.1
61.0 3.3
66.0 1.0
67.0 8.8
68.0 30.0
69.0 94.4
70.0 6.5
71.0 5.0
73.0 36.1
74.0 5.9
79.0 2.1
81.0 3.8
82.0 9.8
83.0 10.3
84.0 15.0
85.0 2.5
86.0 1.6
87.0 11.6
93.0 1.7
94.0 1.4
95.0 1.2
96.0 6.4
97.0 81.7
98.0 5.9
99.0 3.6
100.0 22.2
101.0 4.0
109.0 2.1
110.0 23.0
111.0 4.0
112.0 2.3
113.0 2.9
114.0 3.3
115.0 36.0
116.0 2.5
128.0 11.2
129.0 1.2
130.0 1.0
137.0 1.8
138.0 100.0
139.0 8.8
157.0 3.2