硼酸三亞甲酯(20905-35-5)Raman光譜
分子式:C9H18B2O6
分子量: 243.86
InChI:InChI=1S/C9H18B2O6/c1-4-12-10(13-5-1)16-8-3-9-17-11-14-6-2-7-15-11/h1-9H2
InChIKey: FZNHHPNJQSIEPT-UHFFFAOYSA-N
Smiles:C(OB1OCCCO1)CCOB1OCCCO1
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Mass
MS-NW-5577
2,2'-(trimethylenedioxy)bis(1,3,2-dioxaborinane)
C9H18B2O6 (Mass of molecular ion: 244)
Source Temperature: 270 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
26.0 1.6
27.0 5.6
28.0 13.2
29.0 4.1
31.0 5.9
39.0 5.0
40.0 1.6
41.0 46.5
42.0 6.0
43.0 1.8
44.0 4.5
45.0 15.8
54.0 1.7
55.0 2.2
56.0 2.5
57.0 9.1
58.0 5.8
59.0 5.7
67.0 1.7
68.0 1.2
69.0 1.7
70.0 2.3
71.0 5.8
72.0 3.8
74.0 1.3
75.0 4.5
83.0 5.3
84.0 10.8
85.0 18.8
86.0 3.6
87.0 8.7
88.0 2.9
89.0 5.1
97.0 1.3
98.0 3.9
99.0 11.4
100.0 5.0
101.0 10.9
102.0 3.6
103.0 9.0
112.0 3.6
113.0 13.2
114.0 13.1
115.0 40.4
116.0 2.1
126.0 1.5
127.0 5.3
128.0 9.5
129.0 15.0
130.0 3.0
140.0 2.7
141.0 33.5
142.0 100.0
143.0 9.4
144.0 1.0
154.0 1.3
155.0 3.3
156.0 1.9
157.0 1.0
158.0 3.0
159.0 5.6
168.0 1.1
184.0 1.5
185.0 4.0
186.0 8.5
187.0 13.4
188.0 1.1
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C9 H18 B2 O6
|
0.05 ml : 0.5 ml CDCl3
|
| 2,2'-(trimethylenedioxy)bis(1,3,2-dioxaborinane)
|
 |
Assign. Shift(ppm)
A 4.024
B 3.839
C 1.906
D 1.772
|
Hz ppm Int.
1613.40 4.038 809
1607.91 4.024 1000
1602.42 4.010 711
1546.14 3.869 49
1540.77 3.856 345
1534.42 3.840 615
1528.08 3.824 321
780.03 1.952 31
778.20 1.948 32
772.09 1.932 153
766.60 1.919 336
761.23 1.905 429
755.62 1.891 287
750.24 1.878 114
720.70 1.804 65
718.38 1.798 36
714.36 1.788 184
708.01 1.772 250
701.54 1.756 166
695.19 1.740 46
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| 1H NMR |
89.56 MHz |
| C9 H18 B2 O6
|
0.04 ml : 0.5 ml CDCl3
|
| 2,2'-(trimethylenedioxy)bis(1,3,2-dioxaborinane)
|
|
Assign. Shift(ppm)
A 4.016
B 3.844
C 1.89
D 1.78
|
Hz ppm Int.
365.44 4.081 675
360.00 4.020 1000
354.44 3.958 785
350.75 3.917 331
344.31 3.845 667
337.94 3.774 334
180.44 2.015 102
179.00 1.999 38
174.94 1.954 272
171.44 1.915 170
170.69 1.906 195
169.50 1.893 397
165.56 1.849 267
164.75 1.840 241
163.88 1.830 250
159.25 1.779 281
155.44 1.736 31
152.88 1.708 147
146.50 1.636 35