對苯二甲醇(589-29-7)核磁圖(1HNMR)
InChI:InChI=1S/C8H10O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2
InChIKey: BWVAOONFBYYRHY-UHFFFAOYSA-N
Smiles:C1(CO)=CC=C(CO)C=C1
-
Mass
MS-NW-4695
p-xylene-alpha,alpha'-diol
C8H10O2 (Mass of molecular ion: 138)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
17.0 1.0
18.0 4.6
27.0 5.2
28.0 2.1
29.0 5.9
31.0 12.4
37.0 1.1
38.0 2.2
39.0 10.9
40.0 1.3
41.0 3.6
43.0 1.2
47.0 1.4
50.0 6.5
51.0 13.7
52.0 4.3
53.0 5.6
55.0 1.8
60.0 1.9
61.0 1.0
62.0 2.4
63.0 6.1
64.0 1.5
65.0 8.4
66.0 1.3
68.0 1.2
74.0 2.3
75.0 1.6
76.0 1.7
77.0 44.6
78.0 9.9
79.0 100.0
80.0 7.1
81.0 1.7
89.0 8.2
90.0 3.2
91.0 46.0
92.0 31.6
93.0 4.5
103.0 4.3
104.0 7.1
105.0 2.8
107.0 92.3
108.0 9.0
119.0 6.6
120.0 6.5
121.0 2.9
135.0 2.0
136.0 1.6
137.0 7.4
138.0 47.3
139.0 4.4