癸二酸氢乙酯(693-55-0)红外图谱(IR2)
InChI:InChI=1S/C12H22O4/c1-2-16-12(15)10-8-6-4-3-5-7-9-11(13)14/h2-10H2,1H3,(H,13,14)
InChIKey: DLZCDMPHHUODDO-UHFFFAOYSA-N
Smiles:C(OCC)(=O)CCCCCCCCC(O)=O
-
Mass
MS2003-02106WA
ethyl hydrogen sebacate
C12H22O4 (Mass of molecular ion: 230)
Source Temperature: 250 °C
Sample Temperature: 20 °C
Direct, 70 eV
comment: Pattern varies. Pattern of last period is recorded.
18.0 1.9
27.0 9.4
28.0 3.2
29.0 12.8
31.0 2.1
39.0 9.4
40.0 1.9
41.0 34.1
42.0 5.9
43.0 12.5
45.0 9.5
53.0 4.1
54.0 4.0
55.0 56.9
56.0 6.0
57.0 3.8
58.0 1.0
59.0 6.0
60.0 40.7
61.0 5.7
67.0 8.9
68.0 8.4
69.0 27.0
70.0 7.0
71.0 3.5
73.0 25.0
74.0 3.7
79.0 5.0
80.0 7.0
81.0 10.6
82.0 4.9
83.0 23.2
84.0 48.9
85.0 4.1
86.0 1.0
87.0 7.5
88.0 19.9
89.0 3.0
91.0 1.3
93.0 2.9
94.0 4.1
95.0 6.4
96.0 6.7
97.0 26.5
98.0 100.0
99.0 7.6
100.0 2.0
101.0 9.7
102.0 1.3
106.0 1.2
107.0 6.5
108.0 1.1
109.0 3.1
110.0 7.9
111.0 9.0
112.0 13.1
113.0 2.2
114.0 1.7
115.0 3.0
119.0 1.4
120.0 2.3
121.0 5.2
122.0 2.0
123.0 2.5
124.0 4.9
125.0 39.1
126.0 4.4
127.0 1.1
128.0 1.1
129.0 3.0
130.0 1.0
135.0 2.4
137.0 3.1
138.0 33.1
139.0 6.8
140.0 4.4
143.0 6.1
148.0 4.4
149.0 1.0
151.0 1.2
152.0 1.3
153.0 2.6
158.0 1.0
166.0 28.0
167.0 3.4
171.0 2.7
185.0 15.2
186.0 2.0
194.0 1.7
199.0 1.0
213.0 2.3