4-硝基苯乙醚(100-29-8)红外图谱(IR1)
InChI:InChI=1S/C8H9NO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3
InChIKey: NWPKEYHUZKMWKJ-UHFFFAOYSA-N
Smiles:C1(OCC)=CC=C([N+]([O-])=O)C=C1
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Mass
MS-IW-4116
p-nitrophenetole
C8H9NO3 (Mass of molecular ion: 167)
Source Temperature: 220 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
26.0 1.7
27.0 12.2
28.0 3.2
29.0 31.6
30.0 6.1
38.0 5.2
39.0 21.3
41.0 1.0
43.0 1.4
50.0 10.8
51.0 4.5
52.0 2.5
53.0 6.7
54.0 1.2
55.0 1.3
61.0 1.0
62.0 4.0
63.0 15.9
64.0 12.5
65.0 54.1
66.0 3.8
74.0 3.5
75.0 7.7
76.0 9.3
77.0 5.1
78.0 1.5
79.0 1.8
81.0 19.8
82.0 1.4
91.0 3.7
92.0 5.8
93.0 34.2
94.0 2.6
109.0 62.4
110.0 4.2
122.0 1.9
123.0 8.2
139.0 94.3
140.0 6.7
151.0 2.0
152.0 1.8
167.0 100.0
168.0 10.5
169.0 1.1
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C8 H9 N O3
|
0.039 g : 0.5 ml CDCl3
|
| p-nitrophenetole
|
 |
Assign. Shift(ppm)
A 8.179
B 6.935
C 4.127
D 1.461
J(A,B)=8.4HZ
J(C,D)=7.0HZ
|
Hz ppm Int.
741.13 8.276 41
737.81 8.239 446
735.56 8.214 142
730.69 8.159 145
728.44 8.134 571
725.06 8.096 58
628.88 7.022 47
625.50 6.985 484
623.25 6.960 135
618.38 6.905 116
616.19 6.881 406
612.81 6.843 39
380.69 4.251 116
373.56 4.172 408
366.56 4.093 431
359.63 4.016 142
137.75 1.539 493
130.81 1.461 1000
123.75 1.382 428
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| 1H NMR |
399.65 MHz |
| C8 H9 N O3
|
0.039 g : 0.5 ml CDCl3
|
| p-nitrophenetole
|
|
Assign. Shift(ppm)
A 8.186
B 6.939
C 4.133
D 1.465
|
Hz ppm Int.
3279.79 8.207 54
3276.49 8.199 493
3274.17 8.193 163
3269.29 8.181 163
3266.97 8.175 510
3263.67 8.167 63
2781.25 6.960 47
2777.95 6.951 455
2775.63 6.946 138
2770.87 6.934 131
2768.55 6.928 426
2765.14 6.919 49
1662.48 4.160 147
1655.52 4.143 447
1648.44 4.125 447
1641.48 4.108 157
592.41 1.483 543
585.45 1.465 1000
578.37 1.448 514