間二溴苯(108-36-1)質(zhì)譜(MS)
InChI:InChI=1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey: JSRLURSZEMLAFO-UHFFFAOYSA-N
Smiles:C1(Br)=CC=CC(Br)=C1
-

Mass
MS-NW-0825
m-dibromobenzene
C6H4Br2 (Mass of molecular ion: 234)
Source Temperature: 220 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
37.0 5.1
38.0 8.9
49.0 4.2
50.0 30.1
51.0 4.5
61.0 1.0
73.0 4.6
74.0 19.0
75.0 34.9
76.0 24.8
77.0 4.7
78.0 3.8
79.0 1.3
81.0 1.3
117.0 3.7
118.0 6.9
119.0 3.5
129.0 1.2
130.0 1.0
131.0 1.2
155.0 44.9
156.0 3.9
157.0 42.7
158.0 3.2
234.0 50.7
235.0 3.7
236.0 100.0
237.0 6.7
238.0 48.2
239.0 3.2
90 MHz in CDCl3
parameter in TMS
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1H NMR |
89.56 MHz |
C6 H4 Br2
|
0.04 ml : 0.5 ml CDCl3
|
m-dibromobenzene
|
 |
Assign. Shift(ppm)
A 7.658
B 7.410
C 7.094
|
Hz ppm Int.
688.13 7.684 367
687.75 7.680 382
685.94 7.660 881
684.44 7.643 582
684.06 7.639 552
670.00 7.482 553
668.69 7.467 761
666.69 7.445 559
661.81 7.390 927
661.13 7.382 1000
659.88 7.369 894
659.31 7.362 946
641.44 7.163 654
641.13 7.159 680
634.38 7.084 481
632.50 7.063 312
632.13 7.059 318
625.69 6.987 251
625.38 6.983 252
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1H NMR |
300 MHz |
C6 H4 Br2
|
10 mol% in TMS
|
m-dibromobenzene
|
 |
Parameter ppm Hz
D(A) 7.581
D(B) 7.292
D(C) 6.916
J(A,B) 1.85
J(A,B') 1.85
J(A,C) 0.29
J(B,B') 0.00
J(B,C) 8.03
J(B',C) 8.03
CRECELY,R.W. ET AL. SPECTROCHIM.ACTA 24A, 685 (1968)
J(B,B'):0.95HZ. J(C-13,A):172.01HZ. J(C-13,B):167.92HZ.
J(C-13,C):163.63HZ.
|
Hz ppm Int.
2276.15 7.587 456
2274.32 7.581 889
2272.49 7.575 492
2192.66 7.309 855
2190.84 7.303 786
2184.64 7.282 1000
2182.81 7.276 985
2082.54 6.942 492
2074.54 6.915 646
2066.50 6.888 371