辛二酸二乙酯(2050-23-9)核磁圖(1HNMR)
InChI:InChI=1S/C12H22O4/c1-3-15-11(13)9-7-5-6-8-10-12(14)16-4-2/h3-10H2,1-2H3
InChIKey: PEUGOJXLBSIJQS-UHFFFAOYSA-N
Smiles:C(OCC)(=O)CCCCCCC(OCC)=O
-
Mass
MS-KW-0946
diethyl suberate
C12H22O4 (Mass of molecular ion: 230)
Source Temperature: 240 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
15.0 2.0
17.0 1.2
18.0 6.0
26.0 5.5
27.0 27.8
28.0 21.3
29.0 74.1
30.0 2.6
31.0 11.1
39.0 11.2
40.0 3.7
41.0 48.7
42.0 18.2
43.0 31.2
44.0 6.5
45.0 26.1
46.0 2.2
51.0 1.2
52.0 1.0
53.0 4.3
54.0 5.9
55.0 80.6
56.0 23.2
57.0 5.9
58.0 1.3
59.0 4.3
60.0 37.5
61.0 29.6
62.0 1.1
65.0 1.7
66.0 1.8
67.0 11.2
68.0 24.0
69.0 78.4
70.0 35.8
71.0 5.7
73.0 35.1
74.0 4.5
77.0 1.9
78.0 1.3
79.0 5.7
81.0 7.5
82.0 12.5
83.0 59.5
84.0 12.2
85.0 3.8
86.0 1.1
87.0 10.0
88.0 54.7
89.0 4.1
91.0 3.8
92.0 1.5
93.0 4.9
94.0 3.1
95.0 3.1
96.0 5.2
97.0 74.4
98.0 6.6
99.0 2.9
100.0 1.2
101.0 30.9
102.0 3.3
109.0 4.2
110.0 21.3
111.0 46.7
112.0 6.8
113.0 3.1
114.0 1.4
115.0 41.1
116.0 3.4
120.0 1.4
121.0 2.2
127.0 2.5
128.0 10.0
129.0 8.1
130.0 3.5
137.0 3.7
138.0 80.3
139.0 48.6
140.0 5.7
141.0 3.6
142.0 5.5
143.0 100.0
144.0 9.2
155.0 1.1
156.0 9.3
157.0 8.6
158.0 5.9
184.0 4.6
185.0 92.7
186.0 10.5
187.0 1.2
188.0 1.1