5-氯吲哚(17422-32-1)紅外圖譜(IR1)
InChI:InChI=1S/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
InChIKey: MYTGFBZJLDLWQG-UHFFFAOYSA-N
Smiles:N1C2=C(C=C(Cl)C=C2)C=C1
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Mass
MS-NW-8840
5-chloroindole
C8H6ClN (Mass of molecular ion: 151)
Source Temperature: 270 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
28.0 1.5
38.0 1.1
39.0 2.2
50.0 1.3
51.0 1.1
57.5 4.5
58.0 1.1
61.0 1.2
62.0 4.3
63.0 6.9
64.0 1.3
73.0 2.0
75.0 1.4
75.5 8.6
76.0 1.3
76.5 2.7
86.0 1.4
87.0 2.5
88.0 2.8
89.0 26.4
90.0 3.3
114.0 2.2
115.0 4.8
116.0 19.3
117.0 3.4
123.0 4.7
124.0 11.4
125.0 2.4
126.0 3.7
150.0 3.4
151.0 100.0
152.0 10.3
153.0 32.1
154.0 3.0
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C8 H6 Cl N
|
0.046 g : 0.5 ml CDCl3
|
| 5-chloroindole
|
 |
Assign. Shift(ppm)
A 8.0
B 7.591
C 7.196
D 7.12
E 7.12
F 6.453
J(A,E)=2.8HZ
J(A,F)=2.0HZ
J(B,C)=0.7HZ
J(B,D)=2.0HZ
J(C,D)=8.7HZ
J(C,F)=0.8HZ
J(E,F)=3.2HZ
90MHZ : HSP-04-949
|
Hz ppm Int.
3196.90 8.000 69
3034.42 7.593 709
3033.69 7.591 537
3032.35 7.588 657
2882.08 7.212 349
2881.35 7.210 444
2880.62 7.208 295
2873.41 7.190 594
2872.68 7.188 715
2871.95 7.187 502
2870.12 7.182 51
2849.73 7.131 664
2848.02 7.127 1000
2845.21 7.120 620
2842.41 7.113 502
2841.43 7.110 447
2839.36 7.105 376
2581.79 6.461 355
2580.93 6.458 385
2579.83 6.456 414
2578.74 6.453 546
2577.76 6.451 373
2576.66 6.448 348
2575.68 6.445 311
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| 1H NMR |
89.56 MHz |
| C8 H6 Cl N
|
0.041 g : 0.5 ml CDCl3
|
| 5-chloroindole
|
|
Assign. Shift(ppm)
A 8.1
B 7.597
C 7.225
D 7.17
E 7.14
F 6.471
J(B,E)=1.8HZ
J(B,F)=2.0HZ
J(C,E)=8.7HZ
J(C,F)=0.8HZ
J(D,F)=3.2HZ
400MHZ : HSP-44-098
|
Hz ppm Int.
681.94 7.615 285
681.13 7.606 506
680.19 7.595 423
679.31 7.585 465
678.50 7.576 282
655.00 7.314 122
654.19 7.305 202
653.38 7.296 138
646.31 7.217 508
645.56 7.209 977
644.75 7.200 551
641.81 7.167 1000
640.31 7.150 688
638.56 7.130 347
634.81 7.089 115
633.50 7.074 176
631.25 7.049 170
582.38 6.503 240
581.56 6.494 269
580.38 6.481 250
579.50 6.471 321
578.38 6.459 247
577.13 6.445 223
576.31 6.435 211