丁炔二酸(142-45-0)红外图谱(IR1)
InChI:InChI=1S/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8)
InChIKey: YTIVTFGABIZHHX-UHFFFAOYSA-N
Smiles:C(O)(=O)C#CC(O)=O
-
Mass
MS-NW-5043
acetylenedicarboxylic acid
C4H2O4 (Mass of molecular ion: 114)
Source Temperature: 170 °C
Sample Temperature: 100 °C
Direct, 75 eV
12.0 2.8
13.0 1.8
14.0 1.7
16.0 3.9
17.0 1.1
18.0 1.7
22.0 1.2
24.0 7.0
25.0 13.8
26.0 15.4
27.0 1.2
28.0 9.6
29.0 4.0
36.0 1.3
40.0 2.8
41.0 4.8
42.0 14.0
43.0 1.1
44.0 93.8
45.0 16.9
52.0 12.9
53.0 100.0
54.0 3.6
68.0 3.1
69.0 6.8
70.0 61.2
71.0 2.7
80.0 2.9
86.0 8.2
97.0 23.8
98.0 2.4
114.0 15.8