亞硝酸丁酯(544-16-1)核磁圖(13CNMR)
InChI:InChI=1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3
InChIKey: JQJPBYFTQAANLE-UHFFFAOYSA-N
Smiles:N(=O)OCCCC
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Mass
MS-KW-0243
butyl nitrite
C4H9NO2 (Mass of molecular ion: 103)
Source Temperature: 230 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
15.0 3.0
18.0 2.8
19.0 1.0
26.0 4.0
27.0 55.1
28.0 13.8
29.0 35.0
30.0 63.7
31.0 26.3
33.0 2.0
37.0 1.1
38.0 2.2
39.0 18.2
40.0 3.3
41.0 95.7
42.0 14.4
43.0 100.0
44.0 13.5
45.0 2.8
53.0 1.5
54.0 1.2
55.0 8.6
56.0 33.1
57.0 34.2
58.0 1.6
60.0 57.4
61.0 1.1
71.0 8.8
72.0 5.9
73.0 2.5
89.0 3.3
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C4 H9 N O2
|
0.04 ml : 0.5 ml CDCl3
|
| butyl nitrite
|
 |
Assign. Shift(ppm)
A 4.697
B 1.68
C 1.40
D 0.956
|
Hz ppm Int.
427.63 4.775 318
421.19 4.703 751
414.69 4.631 434
169.69 1.895 50
168.06 1.877 51
167.69 1.873 45
163.38 1.825 98
162.75 1.818 93
161.63 1.805 139
161.25 1.801 141
159.38 1.780 92
158.75 1.773 75
157.81 1.763 97
156.75 1.751 97
154.75 1.728 291
153.75 1.717 202
152.94 1.708 186
152.13 1.699 155
151.00 1.687 97
150.50 1.681 61
148.19 1.655 279
147.31 1.645 232
146.38 1.635 181
145.56 1.626 116
143.56 1.603 178
142.56 1.592 141
142.00 1.586 173
141.50 1.580 153
140.69 1.571 126
140.06 1.564 104
138.13 1.543 166
137.38 1.534 171
136.94 1.530 203
136.19 1.521 227
135.69 1.516 136
134.31 1.500 86
133.94 1.496 82
133.38 1.490 99
132.00 1.474 182
131.00 1.463 233
130.00 1.452 192
128.69 1.437 289
127.06 1.419 96
126.50 1.413 101
126.06 1.408 90
125.06 1.397 148
124.56 1.391 163
124.06 1.386 170
121.94 1.362 310
121.06 1.352 145
119.44 1.334 91
118.25 1.321 93
117.19 1.309 40
116.56 1.302 42
115.38 1.289 236
114.19 1.276 139
112.75 1.259 45
108.94 1.217 118
102.13 1.141 77
101.56 1.134 57
94.31 1.054 49
93.13 1.040 393
91.94 1.027 641
91.25 1.019 630
90.44 1.010 308
88.63 0.990 88
88.00 0.983 81
87.56 0.978 72
85.44 0.954 1000
85.06 0.950 844
84.00 0.938 563
82.31 0.920 205
80.31 0.897 125
79.81 0.892 167
79.44 0.888 173
79.06 0.883 203
78.00 0.871 302
76.13 0.851 190
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| 1H NMR |
399.65 MHz |
| C4H9NO2
|
0.05 ml : 0.5 ml CDCl3
|
| butyl nitrite
|
|
Assign. Shift(ppm)
A 4.706
B 1.724
C 1.414
D 0.958
|
Hz ppm Int.
1881.11 4.706 108
703.01 1.759 78
696.42 1.742 184
693.36 1.735 69
689.09 1.724 220
681.16 1.704 193
674.57 1.688 90
583.87 1.461 63
576.54 1.443 179
570.68 1.428 105
568.97 1.424 248
563.36 1.410 105
561.28 1.404 263
555.91 1.391 53
553.96 1.386 177
546.51 1.368 60
463.63 1.160 14
456.06 1.141 24
448.49 1.122 13
389.78 0.975 581
382.33 0.957 1000
375.01 0.939 495
318.97 0.798 12