溴丙烷(106-94-5)Raman光譜
InChI:InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3
InChIKey: CYNYIHKIEHGYOZ-UHFFFAOYSA-N
Smiles:C(Br)CC
-
Mass
MS-NW-5066
1-bromopropane
C3H7Br (Mass of molecular ion: 122)
Source Temperature: 270 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 1.6
26.0 2.4
27.0 25.6
28.0 1.6
29.0 4.0
37.0 1.2
38.0 2.2
39.0 9.0
40.0 2.1
41.0 31.0
42.0 7.7
43.0 100.0
44.0 3.5
93.0 1.1
95.0 1.0
107.0 1.5
109.0 1.2
122.0 8.6
124.0 8.3
90 MHz in CDCl3
parameter in benzene
-
| 1H NMR |
89.56 MHz |
| C3 H7 Br
|
0.02 ml : 0.5 ml CDCl3
|
| 1-bromopropane
|
 |
Assign. Shift(ppm)
A 3.386
B 1.870
C 1.031
|
Hz ppm Int.
310.38 3.466 353
303.56 3.390 769
297.06 3.317 454
179.63 2.006 75
178.94 1.998 159
172.25 1.924 225
166.06 1.855 161
165.19 1.845 280
158.38 1.769 194
98.88 1.105 485
92.00 1.028 1000
91.44 1.021 608
84.50 0.944 323
83.75 0.936 173
-
| 1H NMR |
300 MHz |
| C3 H7 Br
|
90 vol% in benzene
|
| 1-bromopropane
|
|
Parameter ppm Hz
D(A) 3.177
D(B) 1.683
D(C) 0.848
J(A,B) 6.67
J(A,C) -0.05
J(B,C) 7.29
SCHRUMPF,G. J.MAGN.RESON. 6, 243 (1972)
|
Hz ppm Int.
959.82 3.199 342
953.16 3.177 700
946.50 3.155 364
522.60 1.742 40
515.36 1.718 146
508.57 1.695 288
501.38 1.671 293
494.56 1.649 156
487.44 1.625 45
261.59 0.872 504
254.31 0.848 1000
247.03 0.823 444