對氯苯腈(623-03-0)核磁圖(13CNMR)
InChI:InChI=1S/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChIKey: GJNGXPDXRVXSEH-UHFFFAOYSA-N
Smiles:C(#N)C1=CC=C(Cl)C=C1
-
Mass
MS-NW-1391
p-chlorobenzonitrile
C7H4ClN (Mass of molecular ion: 137)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
27.0 1.2
37.0 2.9
38.0 2.0
39.0 1.0
49.0 2.0
50.0 11.5
50.5 2.1
51.0 7.2
52.0 1.4
61.0 1.2
62.0 1.2
68.5 2.9
73.0 2.7
74.0 4.6
75.0 11.7
76.0 6.5
86.0 1.0
99.0 1.7
100.0 2.1
101.0 2.8
102.0 30.4
103.0 2.6
110.0 2.3
137.0 100.0
138.0 8.0
139.0 32.8
140.0 2.6
90 MHz in CDCl3
parameter in cyclohexane
-
| 1H NMR |
89.56 MHz |
| C7 H4 Cl N
|
0.038 g : 0.5 ml CDCl3
|
| p-chlorobenzonitrile
|
 |
Assign. Shift(ppm)
A 7.590
B 7.479
|
Hz ppm Int.
688.13 7.684 40
686.69 7.668 339
685.88 7.659 190
684.31 7.641 144
683.00 7.627 24
680.19 7.595 207
677.81 7.569 1000
676.31 7.552 276
673.25 7.518 263
671.75 7.501 962
669.38 7.475 221
665.25 7.428 138
663.63 7.410 198
662.88 7.402 341
661.38 7.385 45
146.13 1.632 41
-
| 1H NMR |
300 MHz |
| C7 H4 Cl N
|
in cyclohexane
|
| p-chlorobenzonitrile
|
|
Parameter ppm Hz
D(A) 7.369
D(B) 7.469
J(A,A') 2.1
J(A,B) 8.4
J(A,B') 0.4
J(A',B) 0.4
J(A',B') 8.4
J(B,B') 2.1
MARTIN,J. & DAILEY,B.P. J.CHEM.PHYS. 37, 2594 (1962)
|
Hz ppm Int.
2247.78 7.493 77
2245.67 7.486 544
2243.72 7.479 217
2238.95 7.463 294
2236.93 7.456 1000
2234.89 7.450 167
2216.52 7.388 167
2214.47 7.382 1000
2212.46 7.375 294
2207.68 7.359 217
2205.73 7.352 544
2203.62 7.345 77