反式-1,4-環(huán)己二羧酸(619-82-9)核磁圖(1HNMR)
InChI:InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-
InChIKey: PXGZQGDTEZPERC-IZLXSQMJSA-N
Smiles:[C@@H]1(C(O)=O)CC[C@@H](C(O)=O)CC1
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Mass
MS-NW-1667
trans-1,4-cyclohexanedicarboxylic acid
C8H12O4 (Mass of molecular ion: 172)
Source Temperature: 200 °C
Sample Temperature: 180 °C
Direct, 75 eV
18.0 2.0
26.0 1.3
27.0 14.1
28.0 2.7
29.0 8.2
31.0 1.5
38.0 1.0
39.0 16.5
40.0 2.6
41.0 24.4
42.0 1.9
43.0 18.2
45.0 6.8
47.0 1.1
50.0 1.3
51.0 3.0
52.0 1.7
53.0 9.9
54.0 16.5
55.0 12.7
56.0 1.2
57.0 3.7
65.0 1.6
66.0 5.1
67.0 18.5
68.0 3.5
69.0 3.3
71.0 1.0
73.0 6.8
77.0 3.5
79.0 11.2
80.0 27.2
81.0 100.0
82.0 8.3
83.0 1.3
85.0 1.2
86.0 3.7
94.0 1.7
95.0 3.7
97.0 3.2
98.0 1.7
99.0 1.3
108.0 41.4
109.0 13.7
110.0 1.3
111.0 2.5
112.0 4.6
125.0 1.3
126.0 53.5
127.0 6.0
136.0 5.7
154.0 22.8
155.0 2.2