鄰溴苯甲醛(6630-33-7)核磁圖(13CNMR)
InChI:InChI=1S/C7H5BrO/c8-7-4-2-1-3-6(7)5-9/h1-5H
InChIKey: NDOPHXWIAZIXPR-UHFFFAOYSA-N
Smiles:C(=O)C1=CC=CC=C1Br
-
Mass
MS-NW-3127
o-bromobenzaldehyde
C7H5BrO (Mass of molecular ion: 184)
Source Temperature: 280 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
27.0 2.3
28.0 1.0
29.0 4.3
37.0 5.2
38.0 8.1
39.0 3.2
49.0 4.2
50.0 39.6
51.0 24.1
52.0 2.9
60.0 1.1
61.0 2.2
62.0 2.3
63.0 1.8
73.0 3.8
74.0 16.7
75.0 24.8
76.0 49.9
77.0 35.7
78.0 2.3
79.0 1.7
81.0 1.0
89.0 1.0
91.0 2.3
104.0 15.2
105.0 1.6
155.0 32.2
156.0 5.6
157.0 31.7
158.0 5.3
170.0 1.2
172.0 1.7
183.0 96.7
184.0 85.8
185.0 100.0
186.0 83.0
187.0 6.3
90 MHz in CDCl3
parameter in CDCl3
-
| 1H NMR |
89.56 MHz |
| C7 H5 Br O
|
0.05 ml : 0.5 ml CDCl3
|
| o-bromobenzaldehyde
|
 |
Assign. Shift(ppm)
A 10.341
B 7.89
C 7.63
D 7.43
|
Hz ppm Int.
926.59 10.347 1000
926.22 10.342 725
925.78 10.337 889
711.91 7.949 344
711.40 7.944 368
708.40 7.910 225
707.45 7.900 218
705.91 7.882 480
702.47 7.844 485
701.95 7.838 495
698.95 7.805 64
688.84 7.692 239
688.33 7.686 268
685.47 7.654 184
684.89 7.648 186
684.52 7.644 189
683.79 7.635 201
683.50 7.632 196
682.10 7.617 206
681.81 7.613 209
679.47 7.587 697
678.96 7.582 608
676.03 7.549 177
675.22 7.540 101
674.85 7.536 66
672.80 7.513 227
672.36 7.508 113
671.70 7.501 111
669.21 7.473 747
668.92 7.469 796
668.26 7.462 644
665.70 7.434 701
665.26 7.429 323
664.60 7.421 373
663.35 7.407 391
662.77 7.401 425
662.04 7.393 346
659.69 7.366 358
659.40 7.363 386
655.66 7.321 57
654.93 7.313 62
653.32 7.295 53
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| 1H NMR |
300 MHz |
| C7 H5 Br O
|
10 wt% in CCl4
|
| o-bromobenzaldehyde
|
|
Parameter ppm Hz
D(A) 7.59
D(B) 7.39
D(C) 7.39
D(D) 7.86
J(A,B) 8.12
J(A,C) 1.03
J(A,D) 0.38
J(B,C) 7.33
J(B,D) 1.95
J(C,D) 7.67
D(E) 10.29
SMITH,W.B. ET AL. J.AM.CHEM.SOC. 94, 1959 (1972)
|
Hz ppm Int.
3087.01 10.290 1000
2366.63 7.889 20
2362.91 7.876 189
2359.31 7.864 218
2357.16 7.857 161
2356.72 7.856 161
2353.31 7.844 216
2349.67 7.832 25
2286.06 7.620 22
2285.56 7.619 23
2281.88 7.606 168
2278.46 7.595 168
2276.12 7.587 181
2272.74 7.576 226
2268.77 7.563 53
2225.31 7.418 72
2221.51 7.405 546
2218.01 7.393 395
2215.62 7.385 428
2212.12 7.374 448
2208.32 7.361 56