对环己酮甲酸乙酯(17159-79-4)核磁图(1HNMR)
InChI:InChI=1S/C9H14O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7H,2-6H2,1H3
InChIKey: ZXYAWONOWHSQRU-UHFFFAOYSA-N
Smiles:C1(C(OCC)=O)CCC(=O)CC1
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Mass
MS-IW-9520
ethyl 4-oxocyclohexanecarboxylate
C9H14O3 (Mass of molecular ion: 170)
Source Temperature: 220 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
14.0 1.1
15.0 3.2
17.0 1.0
18.0 4.6
25.0 1.0
26.0 8.7
27.0 40.2
28.0 22.2
29.0 60.5
30.0 1.7
31.0 4.1
38.0 2.0
39.0 28.0
40.0 6.8
41.0 66.7
42.0 41.3
43.0 18.8
44.0 4.1
45.0 6.2
50.0 2.0
51.0 3.2
52.0 2.9
53.0 8.1
54.0 13.6
55.0 100.0
56.0 8.7
57.0 5.1
58.0 5.2
59.0 1.0
60.0 3.3
61.0 1.7
65.0 1.7
66.0 1.4
67.0 8.7
68.0 18.8
69.0 51.8
70.0 25.7
71.0 6.0
72.0 1.8
73.0 15.2
77.0 1.9
78.0 1.9
79.0 4.3
80.0 1.2
81.0 3.1
82.0 3.6
83.0 3.7
85.0 25.9
86.0 39.8
87.0 3.8
88.0 4.4
94.0 1.2
95.0 6.8
96.0 94.4
97.0 72.4
98.0 6.6
99.0 3.1
100.0 1.3
101.0 10.7
106.0 1.1
108.0 1.5
113.0 8.9
114.0 98.2
115.0 7.6
124.0 6.1
125.0 34.7
126.0 2.9
127.0 1.0
128.0 1.6
141.0 7.3
142.0 24.1
143.0 2.0
170.0 25.6
171.0 3.4