双环[3.3.1]壬烷-3-羧酸
产品名称
双环[3.3.1]壬烷-3-羧酸
CAS号6221-62-1
分子式C10H16O2
分子量168.23
InChIInChI=1S/C10H16O2/c11-10(12)9-5-7-2-1-3-8(4-7)6-9/h7-9H,1-6H2,(H,11,12)
InChIKeyXJKUZAYHWMSZNC-UHFFFAOYSA-N
SmilesC12CC(CCC1)CC(C(O)=O)C2
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Mass
MS-KW-0384
endo-bicyclo(3.3.1)nonan-3-carboxylic acid
C10H16O2 (Mass of molecular ion: 168)
Source Temperature: 240 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
17.0 1.5
18.0 7.8
27.0 12.0
28.0 5.4
29.0 9.6
39.0 19.3
40.0 3.7
41.0 34.6
42.0 3.3
43.0 9.0
45.0 4.4
47.0 1.9
51.0 3.7
52.0 2.3
53.0 13.2
54.0 21.1
55.0 28.4
56.0 2.3
57.0 3.7
59.0 1.0
60.0 1.3
65.0 5.0
66.0 7.0
67.0 50.2
68.0 17.2
69.0 7.9
70.0 2.1
71.0 2.1
72.0 5.4
73.0 14.2
74.0 3.8
77.0 10.9
78.0 9.7
79.0 51.8
80.0 50.0
81.0 100.0
82.0 17.9
83.0 6.4
84.0 1.6
85.0 4.6
86.0 9.8
87.0 14.2
88.0 1.0
91.0 8.1
92.0 2.9
93.0 18.9
94.0 14.4
95.0 38.6
96.0 16.2
97.0 5.0
98.0 1.1
99.0 2.7
100.0 1.0
104.0 8.3
105.0 1.7
106.0 4.9
107.0 10.8
108.0 48.2
109.0 12.1
110.0 1.1
111.0 2.1
117.0 5.7
119.0 1.1
121.0 4.9
122.0 12.3
123.0 9.2
124.0 1.2
125.0 55.9
126.0 5.9
127.0 1.2
132.0 11.2
133.0 1.4
135.0 2.5
139.0 2.5
149.0 1.1
150.0 75.0
151.0 10.4
167.0 1.1
168.0 63.6
169.0 7.8
双环[3.3.1]壬烷-3-羧酸(6221-62-1)红外图谱(IR1) 相关产品图谱