4-溴苯乙醚(588-96-5)質(zhì)譜(MS)
InChI:InChI=1S/C8H9BrO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
InChIKey: WVUYYXUATWMVIT-UHFFFAOYSA-N
Smiles:C1(Br)=CC=C(OCC)C=C1
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Mass
MS2015-05280CW
p-bromophenetole
C8H9BrO (Mass of molecular ion: 200)
Source Temperature: 250 °C
Sample Temperature: 250 °C
Reservoir, 70 eV
27.0 2.0
29.0 3.0
38.0 2.1
39.0 4.3
50.0 3.2
51.0 1.1
62.0 2.3
63.0 7.5
64.0 4.4
65.0 17.4
66.0 1.1
74.0 2.1
75.0 4.2
76.0 3.6
77.0 1.6
91.0 1.1
92.0 1.8
93.0 20.0
94.0 1.6
117.0 1.8
119.0 1.7
120.0 1.1
143.0 4.0
145.0 4.0
155.0 2.7
157.0 2.8
171.0 1.1
172.0 100.0
173.0 7.6
174.0 97.9
175.0 6.5
200.0 43.9
201.0 4.0
202.0 43.0
203.0 3.8
in DMSO-d6
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C8 H9 Br O
|
0.05 ml : 0.5 ml CDCl3
|
| p-bromophenetole
|
 |
Assign. Shift(ppm)
A 7.329
B 6.732
C 3.937
D 1.371
|
Hz ppm Int.
2937.13 7.350 87
2933.84 7.342 649
2931.52 7.336 218
2929.32 7.330 33
2927.00 7.324 234
2925.29 7.320 275
2924.68 7.319 666
2921.39 7.310 83
2698.36 6.752 79
2695.07 6.744 543
2692.75 6.738 180
2688.23 6.727 183
2685.91 6.721 491
2682.62 6.713 62
1584.11 3.964 194
1577.15 3.947 524
1570.19 3.929 523
1563.11 3.912 197
555.05 1.389 626
552.49 1.383 34
548.10 1.372 1000
542.85 1.359 49
541.14 1.355 588
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| 1H NMR |
89.56 MHz |
| C8 H9 Br O
|
0.04 ml : 0.5 ml CDCl3
|
| p-bromophenetole
|
|
Assign. Shift(ppm)
A 7.336
B 6.750
C 3.965
D 1.386
|
Hz ppm Int.
665.69 7.433 34
662.38 7.396 444
660.13 7.371 141
655.63 7.321 150
653.31 7.295 615
650.00 7.258 66
611.88 6.833 51
608.63 6.796 536
606.31 6.770 143
601.81 6.720 115
599.50 6.694 384
596.25 6.658 36
366.00 4.087 127
359.00 4.009 422
352.00 3.931 445
345.06 3.853 154
130.94 1.463 506
124.00 1.385 1000
117.00 1.307 445