1,4-苯二乙酸(7325-46-4)核磁圖(1HNMR)
InChI:InChI=1S/C10H10O4/c11-9(12)5-7-1-2-8(4-3-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChIKey: SLWIPPZWFZGHEU-UHFFFAOYSA-N
Smiles:C1(CC(O)=O)=CC=C(CC(O)=O)C=C1
-
Mass
MS-NW-6874
p-phenylenediacetic acid
C10H10O4 (Mass of molecular ion: 194)
Source Temperature: 210 °C
Sample Temperature: 160 °C
Direct, 75 eV
18.0 2.2
27.0 4.2
28.0 1.6
38.0 1.1
39.0 5.4
45.0 5.0
50.0 3.6
51.0 8.8
52.0 3.5
53.0 2.4
62.0 1.4
63.0 3.9
65.0 3.1
74.0 1.4
75.0 1.3
76.0 1.6
77.0 19.8
78.0 8.8
79.0 10.9
89.0 1.4
91.0 13.4
92.0 1.5
102.0 2.3
103.0 12.9
104.0 30.5
105.0 34.7
106.0 3.4
107.0 34.2
108.0 2.7
131.0 5.3
147.0 1.1
148.0 1.0
149.0 100.0
150.0 11.6
151.0 1.1
194.0 56.2
195.0 6.5
400 MHz in DMSO-d6
90 MHz in DMSO-d6