邻氯苄醇(17849-38-6)核磁图(1HNMR)
InChI:InChI=1S/C7H7ClO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChIKey: MBYQPPXEXWRMQC-UHFFFAOYSA-N
Smiles:C1(CO)=CC=CC=C1Cl
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Mass
MS-NW-7146
o-chlorobenzyl alcohol
C7H7ClO (Mass of molecular ion: 142)
Source Temperature: 240 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
18.0 1.2
26.0 1.3
27.0 5.0
28.0 2.5
29.0 6.3
31.0 5.4
36.0 1.9
37.0 3.3
38.0 5.5
39.0 10.7
43.0 1.7
44.0 1.2
49.0 2.4
50.0 17.9
51.0 29.0
52.0 6.1
53.0 8.0
61.0 2.8
62.0 4.7
63.0 8.8
64.0 1.4
70.5 2.4
73.0 3.4
74.0 6.6
75.0 12.4
76.0 5.4
77.0 100.0
78.0 12.4
79.0 86.7
80.0 5.9
84.0 1.2
85.0 2.3
86.0 1.6
87.0 1.4
89.0 11.0
90.0 2.4
91.0 1.1
99.0 2.5
105.0 17.7
106.0 9.0
107.0 71.8
108.0 5.8
111.0 5.4
112.0 2.6
113.0 14.6
114.0 1.8
115.0 4.4
124.0 1.1
125.0 10.6
126.0 1.5
127.0 3.5
139.0 3.1
141.0 11.4
142.0 43.3
143.0 6.7
144.0 14.0
145.0 1.2
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C7 H7 Cl O
|
0.050 g : 0.5 ml CDCl3
|
| o-chlorobenzyl alcohol
|
 |
Assign. Shift(ppm)
A 7.449
B 7.338
C *1 7.26
D *1 7.22
E 4.738
F 2.51
J(E,F)=5.7HZ.
|
Hz ppm Int.
2981.93 7.462 409
2981.57 7.461 420
2980.47 7.458 354
2979.86 7.457 522
2975.46 7.446 229
2974.73 7.444 485
2974.12 7.442 518
2973.39 7.440 424
2972.66 7.439 490
2941.16 7.360 46
2937.74 7.351 546
2936.28 7.348 484
2933.59 7.341 58
2930.18 7.332 880
2928.59 7.328 780
2919.19 7.305 30
2918.95 7.304 30
2918.09 7.302 32
2913.09 7.290 44
2911.38 7.285 46
2909.30 7.280 259
2907.71 7.276 312
2905.76 7.271 69
2901.86 7.262 729
2900.27 7.258 689
2894.65 7.243 673
2892.82 7.239 729
2890.14 7.232 597
2887.08 7.225 65
2884.77 7.219 534
2882.69 7.214 534
2879.64 7.206 38
2877.08 7.200 194
2875.24 7.195 171
1906.74 4.772 48
1906.25 4.770 48
1896.48 4.746 1000
1890.75 4.732 968
1010.25 2.528 242
1004.27 2.513 549
998.17 2.498 214
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| 1H NMR |
89.56 MHz |
| C7 H7 Cl O
|
0.042 g : 0.5 ml CDCl3
|
| o-chlorobenzyl alcohol
|
|
Assign. Shift(ppm)
A 7.45
B 7.38 to 7.05
C 4.737
D 2.38
|
Hz ppm Int.
672.50 7.509 66
671.94 7.503 70
668.63 7.466 110
667.50 7.454 80
665.19 7.428 108
664.38 7.419 122
663.50 7.409 197
662.81 7.401 203
660.25 7.373 83
659.50 7.364 59
657.50 7.342 148
655.69 7.322 144
653.88 7.302 332
653.06 7.292 259
651.69 7.277 450
650.38 7.262 406
648.75 7.244 234
646.50 7.219 397
643.81 7.189 95
642.13 7.170 114
641.31 7.161 101
424.50 4.740 1000
424.06 4.735 999
212.94 2.378 982