十八烷二酸(871-70-5)核磁圖(13CNMR)
InChI:InChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22)
InChIKey: BNJOQKFENDDGSC-UHFFFAOYSA-N
Smiles:C(O)(=O)CCCCCCCCCCCCCCCCC(O)=O
-
Mass
MS-IW-3635
octadecanedioic acid
C18H34O4 (Mass of molecular ion: 314)
Source Temperature: 150 °C
Sample Temperature: 130 °C
Direct, 75 eV
18.0 4.1
27.0 2.8
28.0 1.4
29.0 7.2
39.0 2.5
41.0 22.2
42.0 4.6
43.0 21.8
45.0 3.9
53.0 1.6
54.0 2.6
55.0 35.7
56.0 6.1
57.0 16.2
58.0 1.4
59.0 2.9
60.0 17.8
61.0 3.6
67.0 6.2
68.0 4.8
69.0 23.1
70.0 5.0
71.0 9.1
73.0 24.6
74.0 3.6
79.0 1.7
80.0 2.8
81.0 7.2
82.0 5.3
83.0 17.9
84.0 44.2
85.0 7.6
87.0 5.0
93.0 2.2
94.0 3.9
95.0 6.7
96.0 5.6
97.0 15.1
98.0 100.0
99.0 11.4
100.0 1.3
101.0 3.3
107.0 2.1
108.0 3.7
109.0 3.9
110.0 3.0
111.0 8.2
112.0 35.9
113.0 4.8
114.0 1.2
115.0 3.6
116.0 1.5
121.0 3.9
122.0 2.3
123.0 2.7
124.0 1.8
125.0 4.6
126.0 12.1
127.0 2.4
129.0 7.5
130.0 8.7
135.0 3.1
136.0 1.3
137.0 1.7
138.0 1.6
139.0 2.7
140.0 7.3
141.0 1.4
143.0 2.2
144.0 2.1
149.0 1.9
151.0 1.1
152.0 1.3
153.0 1.8
154.0 6.2
155.0 1.1
157.0 1.3
163.0 1.0
166.0 1.0
167.0 1.2
168.0 2.7
171.0 3.2
172.0 1.1
181.0 1.3
182.0 1.8
185.0 2.9
194.0 1.8
195.0 1.5
196.0 1.6
210.0 1.3
213.0 1.0
227.0 3.6
236.0 2.2
237.0 3.7
241.0 1.0
250.0 2.9
270.0 23.0
271.0 4.4
278.0 9.9
279.0 2.1
296.0 14.0
297.0 3.8