環(huán)己甲酸(98-89-5)核磁圖(1HNMR)
InChI:InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
InChIKey: NZNMSOFKMUBTKW-UHFFFAOYSA-N
Smiles:C1(C(O)=O)CCCCC1
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Mass
MS-NW-4853
cyclohexanecarboxylic acid
C7H12O2 (Mass of molecular ion: 128)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 1.4
26.0 1.9
27.0 18.5
28.0 5.6
29.0 13.9
31.0 1.0
38.0 1.2
39.0 19.6
40.0 3.6
41.0 57.5
42.0 6.7
43.0 7.9
45.0 4.5
47.0 1.0
50.0 1.3
51.0 2.4
52.0 1.1
53.0 7.8
54.0 10.6
55.0 100.0
56.0 41.9
57.0 2.4
58.0 1.1
60.0 12.6
61.0 6.7
65.0 1.1
66.0 1.6
67.0 14.6
68.0 38.2
69.0 22.2
70.0 1.2
71.0 1.6
73.0 75.2
74.0 4.5
77.0 1.3
79.0 2.9
81.0 10.4
82.0 14.5
83.0 54.6
84.0 3.8
85.0 1.5
86.0 8.3
87.0 8.1
96.0 1.4
97.0 1.3
99.0 18.6
100.0 2.9
110.0 13.8
111.0 1.5
113.0 3.8
127.0 2.5
128.0 27.7
129.0 2.8