3-溴丙烯(106-95-6)紅外圖譜(IR1)
InChI:InChI=1S/C3H5Br/c1-2-3-4/h2H,1,3H2
InChIKey: BHELZAPQIKSEDF-UHFFFAOYSA-N
Smiles:C=CCBr
-
Mass
MS-NW-3528
3-bromo-1-propene
C3H5Br (Mass of molecular ion: 120)
Source Temperature: 290 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 2.8
26.0 2.1
27.0 2.8
37.0 2.9
38.0 5.7
39.0 46.7
40.0 5.2
41.0 100.0
42.0 3.5
120.0 8.0
122.0 8.2
parameter in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
300 MHz |
| C3 H5 Br
|
10 vol% in CCl4
|
| 3-bromo-1-propene
|
 |
Parameter ppm Hz
D(A) 5.994
D(B) 5.113
D(C) 5.286
D(D) 3.873
J(A,B) 9.97
J(A,C) 16.79
J(A,D) 7.27
J(B,C) 1.20
J(B,D) -0.59
J(C,D) -1.21
BOTHNER-BY,A.A. & GUENTHER,H. DISC.FAR.SOC. 34, 127 (1962)
|
Hz ppm Int.
1819.29 6.064 130
1812.03 6.040 264
1809.37 6.031 146
1804.79 6.016 146
1802.14 6.007 356
1795.21 5.984 377
1792.57 5.975 174
1787.99 5.960 166
1785.33 5.951 332
1778.06 5.927 172
1595.66 5.319 211
1594.47 5.315 534
1593.28 5.311 544
1592.10 5.307 221
1578.86 5.263 182
1577.70 5.259 457
1576.49 5.255 463
1575.32 5.251 190
1539.34 5.131 483
1538.80 5.129 506
1538.23 5.127 466
1529.39 5.098 445
1528.85 5.096 469
1528.29 5.094 434
1165.81 3.886 1000
1165.22 3.884 999
1158.56 3.862 969
1157.96 3.860 966
-
| 1H NMR |
89.56 MHz |
| C3 H5 Br
|
0.04 ml : 0.5 ml CDCl3
|
| 3-bromo-1-propene
|
|
Assign. Shift(ppm)
A 6.015
B 5.30
C 5.15
D 3.934
J(A,B)=16.8HZ. J(A,C)=9.7HZ. J(A,D)=7.2HZ.
|
Hz ppm Int.
562.13 6.277 113
554.88 6.196 198
552.38 6.168 140
547.75 6.117 126
545.25 6.089 371
538.06 6.008 448
535.56 5.980 232
530.94 5.929 210
528.31 5.899 384
521.25 5.821 267
485.13 5.417 201
484.06 5.405 468
482.69 5.390 608
481.63 5.378 296
468.31 5.230 143
467.25 5.218 338
465.81 5.202 810
464.88 5.191 512
464.44 5.186 507
456.06 5.093 384
455.25 5.084 309
454.69 5.077 392
356.50 3.981 903
356.13 3.977 1000
355.56 3.971 964
355.06 3.965 868
349.38 3.902 792
348.88 3.896 895
348.38 3.890 914
347.81 3.884 811