3,5-吡唑二甲酸(3112-31-0)核磁圖(1HNMR)
InChI:InChI=1S/C5H4N2O4/c8-4(9)2-1-3(5(10)11)7-6-2/h1H,(H,6,7)(H,8,9)(H,10,11)
InChIKey: YDMVPJZBYSWOOP-UHFFFAOYSA-N
Smiles:N1C(C(O)=O)=CC(C(O)=O)=N1
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Mass
MS-NW-9421
3,5-pyrazoledicarboxylic acid
C5H4N2O4 (Mass of molecular ion: 156)
Source Temperature: 230 °C
Sample Temperature: 150 °C
Direct, 75 eV
17.0 1.2
18.0 5.1
25.0 1.2
26.0 1.7
27.0 3.9
28.0 15.7
29.0 6.2
33.0 2.4
36.0 1.9
37.0 7.9
38.0 19.9
39.0 23.3
40.0 32.2
41.0 5.4
42.0 1.6
44.0 6.7
45.0 31.8
50.0 1.0
51.0 1.3
52.0 2.4
53.0 11.8
54.0 7.9
55.0 2.8
61.0 3.0
64.0 1.0
65.0 33.6
66.0 35.4
67.0 55.5
68.0 13.2
69.0 2.4
82.0 12.4
83.0 1.0
93.0 15.3
94.0 10.4
95.0 1.7
109.0 1.0
110.0 4.1
112.0 86.6
113.0 4.6
121.0 77.1
122.0 4.9
126.0 4.2
138.0 2.3
139.0 25.1
140.0 1.6
156.0 100.0
157.0 7.2
158.0 1.0
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1H NMR |
300 MHz |
C5 H4 N2 O4
|
saturated in DMSO-d6
|
3,5-pyrazoledicarboxylic acid
|
|
Parameter ppm Hz
D(A) 7.156
|
Hz ppm Int.
2146.80 7.156 1000