N,N-二甲基-P-铌三阿呋喃(100-23-2)质谱(MS)
分子式:C8H10N2O2
分子量: 166.18
InChI:InChI=1S/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3
InChIKey: QJAIOCKFIORVFU-UHFFFAOYSA-N
Smiles:C1(N(C)C)=CC=C([N+]([O-])=O)C=C1
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Mass
MS-NW-0200
N,N-dimethyl-p-nitroaniline
C8H10N2O2 (Mass of molecular ion: 166)
Source Temperature: 180 °C
Sample Temperature: 0 °C
Direct, 75 eV
15.0 3.0
27.0 1.3
28.0 1.2
30.0 1.8
38.0 1.7
39.0 4.2
41.0 1.4
42.0 22.5
43.0 1.5
44.0 2.1
50.0 7.2
51.0 6.5
52.0 2.7
53.0 1.1
62.0 1.5
63.0 6.5
64.0 2.4
65.0 5.3
66.0 2.8
67.0 2.0
68.0 1.8
69.0 1.6
74.0 2.7
75.0 2.8
76.0 5.7
77.0 18.0
78.0 8.4
79.0 9.5
80.0 1.8
90.0 3.5
91.0 8.6
92.0 5.6
93.0 3.6
94.0 1.0
103.0 2.2
104.0 10.4
105.0 17.3
106.0 2.2
108.0 5.0
117.0 1.5
118.0 8.5
119.0 29.0
120.0 17.3
121.0 1.7
136.0 25.7
137.0 2.5
150.0 2.7
163.0 1.1
165.0 22.9
166.0 100.0
167.0 10.0
90 MHz in CDCl3
parameter in acetone
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| 1H NMR |
89.56 MHz |
| C8 H10 N2 O2
|
0.031 g : 0.5 ml CDCl3
|
| N,N-dimethyl-p-nitroaniline
|
 |
Assign. Shift(ppm)
A 8.094
B 6.589
C 3.103
J(A,B)=9.5HZ
|
Hz ppm Int.
730.00 8.151 117
727.75 8.126 32
722.69 8.070 34
720.44 8.045 133
594.69 6.641 98
592.50 6.616 27
587.38 6.559 22
585.19 6.535 84
278.00 3.105 1000
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| 1H NMR |
300 MHz |
| C8 H10 N2 O2
|
1.3 mol% in acetone
|
| N,N-dimethyl-p-nitroaniline
|
|
Parameter ppm Hz
D(A) 8.05
D(B) 6.79
J(A,A') 3.0
J(A,B) 9.0
J(A,B') 0.2
J(A',B) 0.2
J(A',B') 9.0
J(B,B') 2.6
D(C) 3.18
DISCHLER,B. Z.NATURFORSCH. 20A, 888 (1965)
|
Hz ppm Int.
2423.08 8.077 11
2419.66 8.066 112
2417.52 8.058 36
2412.65 8.042 37
2410.51 8.035 119
2407.10 8.024 12
2044.98 6.817 12
2041.56 6.805 118
2039.42 6.798 37
2034.55 6.782 36
2032.41 6.775 114
2029.00 6.763 11
953.98 3.180 1000