六氫鄰苯二甲酸(610-09-3)核磁圖(13CNMR)
InChI:InChI=1/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6+
InChIKey: QSAWQNUELGIYBC-OLQVQODUNA-N
Smiles:[C@@H]1(C(O)=O)CCCC[C@@H]1C(O)=O |&1:0,8,r|
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Mass
MS-NW-0391
cis-1,2-cyclohexanedicarboxylic acid
C8H12O4 (Mass of molecular ion: 172)
Source Temperature: 160 °C
Sample Temperature: 110 °C
Direct, 75 eV
17.0 1.3
18.0 6.4
26.0 1.9
27.0 15.8
28.0 3.3
29.0 7.1
31.0 1.4
38.0 1.4
39.0 20.7
40.0 3.4
41.0 29.0
42.0 2.6
43.0 11.7
44.0 1.1
45.0 7.9
47.0 1.1
50.0 2.0
51.0 4.3
52.0 2.3
53.0 12.4
54.0 28.7
55.0 12.1
56.0 2.9
57.0 2.8
60.0 2.5
65.0 2.1
66.0 9.5
67.0 47.5
68.0 11.9
69.0 3.0
70.0 1.7
71.0 1.2
73.0 10.6
77.0 4.5
78.0 1.0
79.0 12.8
80.0 31.4
81.0 90.8
82.0 36.0
83.0 3.6
84.0 1.3
85.0 1.7
86.0 4.8
87.0 5.5
94.0 2.6
95.0 4.4
97.0 8.6
98.0 2.0
99.0 8.3
100.0 3.7
107.0 1.1
108.0 47.5
109.0 7.2
110.0 1.3
111.0 4.7
112.0 5.4
113.0 1.0
117.0 1.2
125.0 2.1
126.0 100.0
127.0 9.2
128.0 5.1
136.0 2.8
154.0 31.2
155.0 3.8