2-溴吡啶(109-04-6)核磁圖(13CNMR)
InChI:InChI=1S/C5H4BrN/c6-5-3-1-2-4-7-5/h1-4H
InChIKey: IMRWILPUOVGIMU-UHFFFAOYSA-N
Smiles:C1(Br)=NC=CC=C1
-
Mass
MS-NW-2643
2-bromopyridine
C5H4BrN (Mass of molecular ion: 157)
Source Temperature: 280 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
26.0 3.2
27.0 5.7
28.0 4.2
37.0 1.3
38.0 2.3
39.0 2.8
49.0 2.1
50.0 11.3
51.0 30.9
52.0 9.1
75.0 1.5
76.0 3.3
77.0 1.1
78.0 100.0
78.5 1.1
79.0 5.9
79.5 1.1
157.0 32.4
158.0 2.0
159.0 30.8
160.0 1.9
parameter in CCl4
90 MHz in CDCl3
-
| 1H NMR |
300 MHz |
| C5 H4 Br N
|
10 vol% in CCl4
|
| 2-bromopyridine
|
 |
Parameter ppm Hz
D(A) 8.31
D(B) 7.17
D(C) 7.46
D(D) 7.40
J(A,B) 4.81
J(A,C) 2.09
J(A,D) 0.79
J(B,C) 7.39
J(B,D) 0.94
J(C,D) 8.03
SMITH,W.B. & ROARK,J.L. J.PHYS.CHEM. 73, 1049 (1969)
|
Hz ppm Int.
2496.84 8.323 473
2496.06 8.320 502
2494.80 8.316 514
2494.02 8.313 502
2492.05 8.307 500
2491.20 8.304 521
2490.04 8.300 521
2489.22 8.297 491
2247.61 7.492 245
2245.56 7.485 238
2240.46 7.468 328
2239.60 7.465 563
2238.47 7.462 347
2237.54 7.458 544
2232.48 7.442 646
2230.47 7.435 648
2224.15 7.414 677
2223.07 7.410 1000
2222.11 7.407 756
2216.14 7.387 335
2215.25 7.384 423
2214.11 7.380 263
2157.39 7.191 478
2156.17 7.187 465
2152.59 7.175 478
2151.32 7.171 498
2150.30 7.168 462
2149.08 7.164 412
2145.52 7.152 395
2144.26 7.148 383
-
| 1H NMR |
89.56 MHz |
| C5 H4 Br N
|
0.05 ml : 0.5 ml CDCl3
|
| 2-bromopyridine
|
|
Assign. Shift(ppm)
A 8.36
B 7.56
C 7.49
D 7.26
|
Hz ppm Int.
752.63 8.404 152
751.75 8.394 178
750.75 8.383 193
749.88 8.373 184
747.88 8.351 177
746.38 8.334 235
745.06 8.320 185
686.50 7.666 103
684.50 7.643 95
680.25 7.596 72
678.56 7.577 417
676.56 7.555 421
673.19 7.517 404
672.31 7.507 1000
670.50 7.487 865
669.75 7.479 656
666.50 7.442 31
665.25 7.428 152
664.25 7.417 141
662.94 7.403 76
657.31 7.340 58
655.88 7.324 440
653.63 7.299 300
651.06 7.270 384
649.63 7.254 257
648.63 7.243 281
647.38 7.229 243
645.06 7.203 216
642.56 7.175 209