2-氯-5-硝基芐醇(80866-80-4)紅外圖譜(IR1)
分子式:C7H6ClNO3
分子量: 187.58
InChI:InChI=1S/C7H6ClNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-3,10H,4H2
InChIKey: NNLQYDLTFRXAKD-UHFFFAOYSA-N
Smiles:C1(CO)=CC([N+]([O-])=O)=CC=C1Cl
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Mass
MS-NW-7257
2-chloro-5-nitrobenzyl alcohol
C7H6ClNO3 (Mass of molecular ion: 187)
Source Temperature: 140 °C
Sample Temperature: 110 °C
Direct, 75 eV
17.0 1.4
18.0 5.4
26.0 1.5
27.0 6.6
28.0 5.7
29.0 12.7
30.0 9.8
31.0 19.7
36.0 1.8
37.0 6.0
38.0 8.2
39.0 17.3
40.0 1.7
43.0 1.9
46.0 1.8
49.0 3.1
50.0 30.7
51.0 61.2
52.0 9.9
53.0 3.9
55.0 3.1
60.0 1.2
61.0 6.7
62.0 10.7
63.0 21.0
64.0 3.7
65.0 14.4
66.0 3.7
72.0 1.4
73.0 11.6
74.0 24.8
75.0 57.5
76.0 16.9
77.0 100.0
78.0 30.2
79.0 2.4
84.0 3.7
85.0 5.6
86.0 4.2
87.0 5.9
88.0 1.9
89.0 10.9
90.0 2.3
92.0 2.0
93.0 2.2
94.0 11.1
95.0 1.0
97.0 2.8
98.0 1.2
99.0 4.0
100.0 1.6
101.0 1.6
103.0 1.5
104.0 4.5
105.0 17.8
106.0 9.1
107.0 1.7
109.0 1.5
110.0 8.2
111.0 45.5
112.0 22.0
113.0 17.9
114.0 6.9
115.0 2.1
121.0 2.6
122.0 5.5
123.0 65.6
124.0 34.3
125.0 24.0
126.0 5.1
127.0 1.3
128.0 3.2
129.0 1.5
130.0 1.1
138.0 3.1
139.0 19.5
140.0 24.6
141.0 58.6
142.0 18.8
143.0 19.4
144.0 3.8
150.0 5.6
151.0 1.6
152.0 47.0
153.0 4.4
155.0 3.1
157.0 2.1
158.0 18.2
159.0 1.9
160.0 6.2
169.0 2.7
170.0 15.7
171.0 4.8
172.0 5.4
173.0 1.4
184.0 3.8
185.0 2.9
186.0 12.3
187.0 87.1
188.0 11.2
189.0 28.7
190.0 2.8
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C7 H6 Cl N O3
|
0.033 g : 0.5 ml CDCl3
|
| 2-chloro-5-nitrobenzyl alcohol
|
 |
Assign. Shift(ppm)
A 8.436
B 8.088
C 7.514
D 4.861
E 2.52
|
Hz ppm Int.
3373.54 8.442 393
3372.68 8.440 615
3372.07 8.438 401
3370.24 8.433 637
3238.89 8.105 267
3238.28 8.103 449
3237.67 8.102 257
3236.08 8.098 269
3235.47 8.096 430
3234.86 8.095 241
3232.79 8.090 31
3232.18 8.088 30
3230.22 8.083 289
3229.61 8.082 476
3229.00 8.080 276
3227.42 8.076 294
3226.81 8.075 469
3226.20 8.073 260
3007.45 7.526 1000
2998.78 7.504 941
1943.97 4.865 626
1941.77 4.859 652
1006.84 2.520 257
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| 1H NMR |
89.56 MHz |
| C7 H6 Cl N O3
|
0.039 g : 0.5 ml CDCl3
|
| 2-chloro-5-nitrobenzyl alcohol
|
|
Assign. Shift(ppm)
A 8.422
B 8.076
C 7.508
D 4.853
E 2.53
J(A,B)=2.8HZ
J(B,C)=8.7HZ
|
Hz ppm Int.
755.81 8.440 284
755.50 8.436 279
753.06 8.409 326
729.13 8.142 195
726.38 8.111 158
722.81 8.071 41
720.44 8.045 259
717.63 8.013 216
676.13 7.550 521
667.44 7.453 381
434.69 4.854 1000
226.56 2.530 187