2-溴氯苯(694-80-4)核磁圖(13CNMR)
InChI:InChI=1S/C6H4BrCl/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKey: QBELEDRHMPMKHP-UHFFFAOYSA-N
Smiles:C1(Br)=CC=CC=C1Cl
-
Mass
MS-NW-0837
o-bromochlorobenzene
C6H4BrCl (Mass of molecular ion: 190)
Source Temperature: 280 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
36.0 1.0
37.0 5.0
37.5 1.1
38.0 4.8
39.0 1.4
49.0 4.8
50.0 23.8
51.0 6.6
55.0 3.3
56.0 1.1
61.0 1.8
72.0 1.3
73.0 4.3
74.0 16.9
75.0 47.0
76.0 9.9
77.0 1.5
78.0 1.5
79.0 1.4
81.0 1.5
84.0 3.3
85.0 4.4
86.0 1.2
87.0 1.4
95.0 3.5
96.0 4.3
97.0 1.2
110.0 2.0
111.0 63.6
112.0 4.9
113.0 19.5
114.0 1.3
155.0 1.7
157.0 1.5
190.0 78.7
191.0 5.4
192.0 100.0
193.0 6.9
194.0 24.3
195.0 1.7
90 MHz in CDCl3
parameter in CDCl3
-
| 1H NMR |
89.56 MHz |
| C6 H4 Br Cl
|
0.04 ml : 0.5 ml CDCl3
|
| o-bromochlorobenzene
|
 |
Assign. Shift(ppm)
A 7.593
B 7.424
C 7.21
D 7.11
|
Hz ppm Int.
685.69 7.657 413
685.31 7.652 460
683.75 7.635 429
682.88 7.625 476
678.25 7.574 869
676.19 7.551 626
675.81 7.546 700
671.56 7.499 298
671.19 7.495 322
669.13 7.472 585
664.25 7.417 585
663.38 7.408 650
661.75 7.389 808
661.44 7.386 743
655.94 7.325 371
653.94 7.302 481
648.69 7.244 1000
646.69 7.221 750
642.63 7.176 877
641.38 7.162 659
640.13 7.148 825
638.94 7.135 493
635.06 7.091 631
633.06 7.069 614
627.81 7.010 227
625.81 6.988 186
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| 1H NMR |
300 MHz |
| C6 H4 Br Cl
|
10 wt% in CCl4
|
| o-bromochlorobenzene
|
|
Parameter ppm Hz
D(A) 7.369
D(B) 7.156
D(C) 7.027
D(D) 7.537
J(A,B) 8.01
J(A,C) 1.60
J(A,D) 0.32
J(B,C) 7.43
J(B,D) 1.55
J(C,D) 8.09
CASTELLANO,S. & KOSTELNIK,R. TETRAHEDRON LETT. 1967, 5211
|
Hz ppm Int.
2266.01 7.553 826
2264.43 7.548 833
2258.00 7.527 931
2256.41 7.521 938
2215.76 7.386 758
2214.13 7.380 797
2207.79 7.359 963
2206.17 7.354 1000
2155.39 7.185 486
2153.79 7.179 495
2147.95 7.160 823
2146.35 7.154 808
2140.03 7.133 578
2138.41 7.128 541
2116.18 7.054 663
2114.51 7.048 654
2108.18 7.027 747
2107.04 7.023 648
2106.55 7.022 706
2100.74 7.002 418
2099.09 6.997 398