1,4-環(huán)己烷二甲酸(1076-97-7)質(zhì)譜(MS)
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)
InChIKey: PXGZQGDTEZPERC-UHFFFAOYSA-N
Smiles:C1(C(O)=O)CCC(C(O)=O)CC1
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Mass
MS-NW-2288
1,4-cyclohexanedicarboxylic acid
C8H12O4 (Mass of molecular ion: 172)
Source Temperature: 210 °C
Sample Temperature: 170 °C
Direct, 75 eV
17.0 2.7
18.0 13.3
26.0 1.9
27.0 15.6
28.0 8.9
29.0 7.4
31.0 1.4
38.0 1.7
39.0 19.5
40.0 3.4
41.0 27.5
42.0 2.2
43.0 16.1
44.0 3.5
45.0 7.3
47.0 1.2
50.0 2.4
51.0 4.6
52.0 3.0
53.0 11.8
54.0 24.5
55.0 13.5
56.0 1.5
57.0 3.2
65.0 2.4
66.0 6.2
67.0 27.8
68.0 4.5
69.0 3.4
70.0 1.2
71.0 1.1
73.0 7.3
77.0 6.4
78.0 2.1
79.0 21.1
80.0 35.8
81.0 100.0
82.0 10.0
83.0 1.7
84.0 1.1
85.0 1.2
86.0 4.0
92.0 1.2
94.0 1.9
95.0 3.9
97.0 4.0
98.0 1.8
99.0 1.4
107.0 1.3
108.0 43.0
109.0 12.4
110.0 4.0
111.0 3.1
112.0 4.5
125.0 1.5
126.0 50.1
127.0 5.6
136.0 5.7
154.0 18.9
155.0 2.0
TI(III) COMPLEX IN C6H6/(CH3)C6H5, Q-BAND, 77K
TI(III) COMPLEX IN C6H6/(CH3)C6H5, X-BAND, 77K
TI(III) COMPLEX IN C6H6/(CH3)C6H5, X-BAND, RT