1,1-環(huán)己基二乙酸(4355-11-7)紅外圖譜(IR2)
InChI:InChI=1S/C10H16O4/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H,11,12)(H,13,14)
InChIKey: YQPCHPBGAALCRT-UHFFFAOYSA-N
Smiles:C1(CC(O)=O)(CC(O)=O)CCCCC1
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Mass
MS-IW-0686
1,1-cyclohexanediacetic acid
C10H16O4 (Mass of molecular ion: 200)
Source Temperature: 180 °C
Sample Temperature: 140 °C
Direct, 75 eV
17.0 1.1
18.0 6.6
27.0 3.4
28.0 1.6
29.0 3.2
39.0 5.7
40.0 1.4
41.0 9.8
42.0 1.8
43.0 4.2
45.0 2.1
53.0 3.8
54.0 6.2
55.0 10.2
56.0 1.1
57.0 1.6
60.0 7.0
61.0 3.0
65.0 1.3
66.0 1.4
67.0 15.7
68.0 7.4
69.0 1.6
71.0 1.4
73.0 1.1
77.0 2.0
78.0 2.3
79.0 12.2
80.0 30.3
81.0 100.0
82.0 8.2
83.0 1.4
91.0 1.4
92.0 1.8
93.0 2.9
94.0 14.4
95.0 37.0
96.0 18.3
97.0 5.9
98.0 1.0
99.0 6.1
105.0 2.1
109.0 1.3
110.0 6.3
111.0 1.2
120.0 3.0
121.0 1.0
122.0 26.4
123.0 73.4
124.0 6.5
136.0 1.4
137.0 1.4
138.0 1.9
139.0 1.4
140.0 23.6
141.0 50.0
142.0 4.5
154.0 6.8
164.0 1.1
182.0 2.4
183.0 2.6