4-硝基苯甲酰氯(122-04-3)Raman光谱
分子式:C7H4ClNO3
分子量: 185.56
InChI:InChI=1S/C7H4ClNO3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H
InChIKey: SKDHHIUENRGTHK-UHFFFAOYSA-N
Smiles:C(Cl)(=O)C1=CC=C([N+]([O-])=O)C=C1
-
Mass
MS-IW-3407
p-nitrobenzoyl chloride
C7H4ClNO3 (Mass of molecular ion: 185)
Source Temperature: 220 °C
Sample Temperature: 160 °C
Reservoir, 75 eV
28.0 1.2
30.0 1.5
37.0 1.7
38.0 2.5
49.0 1.0
50.0 13.9
51.0 1.6
62.0 1.0
63.0 1.8
64.0 2.3
73.0 1.8
74.0 7.3
75.0 16.5
76.0 18.5
77.0 1.3
92.0 7.5
103.0 2.9
104.0 26.1
105.0 2.0
111.0 3.0
113.0 1.0
120.0 4.0
139.0 1.2
150.0 100.0
151.0 8.2
parameter in acetone
400 MHz in CDCl3
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| 1H NMR |
300 MHz |
| C7 H4 Cl N O3
|
15 mol% in acetone
|
| p-nitrobenzoyl chloride
|
 |
Parameter ppm Hz
D(A) 8.36
D(B) 8.42
J(A,A') 2.5
J(A,B) 8.7
J(A,B') 0.3
J(A',B) 0.3
J(A',B') 8.7
J(B,B') 2.1
DISCHLER,B. Z.NATURFORSCH. 20A, 888 (1965)
|
Hz ppm Int.
2533.66 8.446 51
2531.56 8.439 371
2529.43 8.431 155
2524.69 8.416 251
2522.50 8.408 1000
2520.45 8.401 184
2513.55 8.378 184
2511.50 8.372 1000
2509.31 8.364 251
2504.57 8.349 155
2502.44 8.341 370
2500.34 8.334 51
-
| 1H NMR |
399.65 MHz |
| C7 H4 Cl N O3
|
saturated in CDCl3
|
| p-nitrobenzoyl chloride
|
|
Assign. Shift(ppm)
A 8.344
B 8.295
|
Hz ppm Int.
3340.58 8.359 401
3338.26 8.353 178
3333.62 8.342 270
3331.42 8.336 926
3329.47 8.331 219
3321.04 8.310 229
3319.09 8.305 1000
3316.77 8.300 316
3315.67 8.297 78
3312.13 8.288 209
3310.55 8.284 288
3309.94 8.283 461
3307.98 8.278 107