5-(甲氧羰基)-2-吡啶羧酸(17874-79-2)核磁图(1HNMR)
InChI:InChI=1S/C8H7NO4/c1-13-8(12)5-2-3-6(7(10)11)9-4-5/h2-4H,1H3,(H,10,11)
InChIKey: NTCKZTBRFXTYBD-UHFFFAOYSA-N
Smiles:C1(C(O)=O)=NC=C(C(OC)=O)C=C1
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Mass
MS-IW-2693
5-methyl hydrogen 2,5-pyridinedicarboxylate
C8H7NO4 (Mass of molecular ion: 181)
Source Temperature: 130 °C
Sample Temperature: 110 °C
Direct, 75 eV
15.0 9.2
17.0 8.0
18.0 36.2
26.0 2.9
27.0 2.8
28.0 5.6
29.0 1.7
37.0 1.4
38.0 3.3
38.5 1.9
39.0 5.4
44.0 1.0
45.0 5.3
49.0 2.9
50.0 17.2
51.0 27.8
52.0 6.1
52.5 2.1
53.0 4.1
59.0 8.7
65.0 2.8
66.0 3.0
75.0 3.1
76.0 6.7
77.0 16.3
78.0 21.7
79.0 3.9
80.0 1.2
92.0 1.9
93.0 2.3
94.0 2.8
104.0 3.5
105.0 5.8
106.0 16.5
107.0 1.4
122.0 27.4
123.0 3.2
136.0 6.6
137.0 100.0
138.0 8.1
149.0 1.0
150.0 35.6
151.0 3.2
164.0 1.3
181.0 1.9