5-乙基-5-(对甲苯基)巴比妥酸(52584-39-1)核磁图(13CNMR)
分子式:C13H14N2O3
分子量: 246.26
InChI:InChI=1S/C13H14N2O3/c1-3-13(9-6-4-8(2)5-7-9)10(16)14-12(18)15-11(13)17/h4-7H,3H2,1-2H3,(H2,14,15,16,17,18)
InChIKey: ZYJDWGKPBQDCBX-UHFFFAOYSA-N
Smiles:C1(=O)NC(=O)C(CC)(C2=CC=C(C)C=C2)C(=O)N1
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Mass
MS-NW-6625
5-ethyl-5-(p-tolyl)barbituric acid
C13H14N2O3 (Mass of molecular ion: 246)
Source Temperature: 180 °C
Sample Temperature: 120 °C
Direct, 75 eV
18.0 2.8
27.0 4.9
28.0 2.0
29.0 3.2
39.0 7.6
41.0 2.2
43.0 1.1
44.0 2.4
50.0 2.7
51.0 7.5
52.0 2.2
53.0 2.5
57.0 1.3
57.5 6.4
58.0 2.8
58.5 5.6
62.0 1.7
63.0 5.4
64.0 5.2
64.5 1.6
65.0 12.1
66.0 1.0
70.0 2.5
72.5 3.6
74.0 1.4
75.0 2.0
76.0 2.1
77.0 8.5
78.0 3.0
79.0 1.9
80.0 1.8
87.0 1.0
89.0 3.7
90.0 2.0
91.0 19.3
92.0 11.3
93.0 1.0
102.0 3.5
103.0 6.5
104.0 3.4
105.0 3.8
106.0 1.2
108.0 1.2
115.0 13.5
116.0 7.8
117.0 26.1
118.0 15.2
119.0 10.9
120.0 1.4
127.0 1.3
128.0 3.1
129.0 5.0
130.0 3.2
131.0 9.0
132.0 13.2
133.0 2.1
146.0 14.3
147.0 6.0
157.0 4.2
158.0 3.4
159.0 1.6
160.0 14.8
161.0 2.1
174.0 7.8
175.0 16.7
176.0 2.9
186.0 2.9
188.0 5.8
189.0 2.1
190.0 1.7
199.0 1.2
200.0 1.2
201.0 2.5
203.0 5.2
217.0 23.7
218.0 100.0
219.0 12.8
220.0 1.4
229.0 2.9
231.0 3.3
246.0 59.9
247.0 9.3
248.0 1.1