對苯二異氰酸酯(104-49-4)核磁圖(1HNMR)
InChI:InChI=1S/C8H4N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H
InChIKey: ALQLPWJFHRMHIU-UHFFFAOYSA-N
Smiles:C1(N=C=O)=CC=C(N=C=O)C=C1
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Mass
MS2007-03573WA
p-phenylene diisocyanate
C8H4N2O2 (Mass of molecular ion: 160)
Source Temperature: 250 °C
Sample Temperature: 20 °C
Direct, 70 eV
18.0 1.4
26.0 2.6
37.0 1.9
38.0 1.7
39.0 1.3
50.0 2.8
51.0 7.3
52.0 9.0
53.0 4.5
54.0 7.2
61.0 1.2
62.0 2.1
63.0 2.4
64.0 4.2
75.0 1.4
76.0 4.6
77.0 16.0
78.0 5.3
80.0 2.7
89.0 1.2
103.0 1.4
104.0 27.5
105.0 2.1
132.0 28.8
133.0 2.4
160.0 100.0
161.0 9.5