3-氨基苯硼酸半硫酸盐(66472-86-4)红外图谱(IR1)
分子式:C12H18B2N2O8S
分子量: 371.96692
InChI:InChI=1S/2C6H8BNO2.H2O4S/c2*8-6-3-1-2-5(4-6)7(9)10;1-5(2,3)4/h2*1-4,9-10H,8H2;(H2,1,2,3,4)
InChIKey: UKTAURVTSWDIQR-UHFFFAOYSA-N
Smiles:S(=O)(=O)(O[H])O[H].O([H])B(C1C([H])=C([H])C([H])=C(C=1[H])N([H])[H])O[H].O([H])B(C1C([H])=C([H])C([H])=C(C=1[H])N([H])[H])O[H]
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Mass
MS2006-02876WA
m-aminophenylboronic acid hemisulfate
C6H8BNO2 1/2H2O4S (Mass of molecular ion: 137)
Source Temperature: 250 °C
Sample Temperature: 280 °C
Direct, 70 eV
18.0 3.1
28.0 2.2
37.0 1.4
38.0 2.9
39.0 7.7
40.0 2.5
41.0 2.8
44.0 3.1
46.5 3.5
50.0 2.4
51.0 2.6
52.0 3.0
53.0 1.0
54.0 2.9
61.0 1.2
62.0 1.8
63.0 3.5
64.0 2.0
65.0 13.7
66.0 26.7
67.0 3.5
74.0 1.0
76.0 1.0
77.0 1.1
78.0 1.6
91.0 1.1
92.0 10.6
93.0 100.0
94.0 6.9