鄰羥基苯甲腈(611-20-1)紅外圖譜(IR1)
InChI:InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H
InChIKey: CHZCERSEMVWNHL-UHFFFAOYSA-N
Smiles:C(#N)C1=CC=CC=C1O
-
Mass
MS-NW-7664
o-hydroxybenzonitrile
C7H5NO (Mass of molecular ion: 119)
Source Temperature: 260 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
26.0 1.9
27.0 2.5
28.0 4.3
29.0 1.7
37.0 8.1
38.0 11.6
39.0 12.7
40.0 1.7
41.0 4.9
42.0 1.0
44.0 1.0
44.5 3.0
45.0 1.0
45.5 6.4
49.0 1.8
50.0 5.9
51.0 4.0
52.0 9.3
53.0 3.4
61.0 4.1
62.0 6.2
63.0 22.2
64.0 31.5
65.0 7.4
66.0 1.1
74.0 1.8
75.0 3.3
76.0 2.6
87.0 1.2
88.0 1.4
90.0 5.8
91.0 91.4
92.0 12.5
119.0 100.0
120.0 9.8
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C7 H5 N O
|
0.041 g : 0.5 ml CDCl3
|
| o-hydroxybenzonitrile
|
 |
Assign. Shift(ppm)
A 7.50
B 7.45
C 7.10
D 7.06
E 6.95
CONFIRMED BY LAOCN PROGRAM.
|
Hz ppm Int.
686.88 7.670 35
685.19 7.651 36
675.63 7.544 816
673.81 7.524 470
668.63 7.466 996
667.88 7.458 1000
666.94 7.447 654
666.19 7.439 708
661.31 7.384 595
659.50 7.364 375
653.50 7.297 77
645.00 7.202 40
644.31 7.195 41
643.00 7.180 41
641.38 7.162 45
636.25 7.105 564
635.56 7.097 726
632.88 7.067 204
630.19 7.037 533
629.06 7.024 483
627.69 7.009 464
626.44 6.995 401
623.31 6.960 388
621.69 6.942 561
618.00 6.901 79
615.25 6.870 248
614.19 6.858 222
610.81 6.821 40
-
| 1H NMR |
399.65 MHz |
| C7 H5 N O
|
0.049 g : 0.5 ml CDCl3
|
| o-hydroxybenzonitrile
|
|
Assign. Shift(ppm)
A 7.50
B 7.47
C 7.059
D 7.04
E 6.961
|
Hz ppm Int.
3000.24 7.508 543
2998.78 7.504 654
2992.43 7.488 622
2990.97 7.484 1000
2989.38 7.480 366
2986.69 7.474 106
2986.33 7.473 106
2983.52 7.466 481
2982.54 7.463 515
2981.93 7.462 452
2980.96 7.459 395
2975.10 7.445 395
2973.39 7.440 322
2825.32 7.070 614
2816.89 7.049 557
2789.79 6.981 467
2788.82 6.979 455
2782.10 6.962 758
2781.37 6.960 727
2777.71 6.951 84
2777.34 6.950 84
2774.54 6.943 404
2773.68 6.941 386