2,3-二甲基-2,3-二硝基丁烷(3964-18-9)質(zhì)譜(MS)
分子式:C6H12N2O4
分子量: 176.17
InChI:InChI=1S/C6H12N2O4/c1-5(2,7(9)10)6(3,4)8(11)12/h1-4H3
InChIKey: DWCLXOREGBLXTD-UHFFFAOYSA-N
Smiles:CC(C)([N+]([O-])=O)C(C)([N+]([O-])=O)C
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Mass
MS-NW-6356
2,3-dimethyl-2,3-dinitrobutane
C6H12N2O4 (Mass of molecular ion: 176)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 1.9
18.0 2.5
27.0 6.8
28.0 5.6
29.0 7.2
30.0 12.7
31.0 1.2
38.0 1.0
39.0 14.0
40.0 3.7
41.0 44.9
42.0 7.4
43.0 9.2
51.0 1.3
53.0 3.8
54.0 1.0
55.0 18.2
56.0 8.3
57.0 100.0
58.0 5.8
59.0 6.5
65.0 1.1
67.0 3.8
69.0 45.8
70.0 2.8
83.0 9.0
84.0 19.8
85.0 4.7
100.0 16.0
101.0 1.2
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| 1H NMR |
300 MHz |
| C6 H12 N2 O4
|
0.049 g : 0.5 ml CDCl3
|
| 2,3-dimethyl-2,3-dinitrobutane
|
 |
Parameter ppm Hz
D(A) 1.737
|
Hz ppm Int.
521.10 1.737 1000