3-氟苯甲醛(456-48-4)質(zhì)譜(MS)
InChI:InChI=1S/C7H5FO/c8-7-3-1-2-6(4-7)5-9/h1-5H
InChIKey: PIKNVEVCWAAOMJ-UHFFFAOYSA-N
Smiles:C(=O)C1=CC=CC(F)=C1
-
Mass
MS-NW-1490
m-fluorobenzaldehyde
C7H5FO (Mass of molecular ion: 124)
Source Temperature: 250 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
18.0 2.3
26.0 1.0
27.0 1.6
28.0 3.1
29.0 6.5
31.0 3.4
37.0 5.2
38.0 4.3
39.0 6.5
44.0 1.0
45.0 1.8
49.0 3.5
50.0 23.2
51.0 11.4
52.0 1.5
56.0 1.3
57.0 6.1
61.0 3.9
62.0 4.4
63.0 5.5
68.0 7.5
69.0 11.2
70.0 16.4
73.0 2.5
74.0 11.8
75.0 36.2
76.0 5.6
77.0 2.2
81.0 1.9
83.0 1.2
92.0 1.6
93.0 2.5
94.0 8.7
95.0 95.7
96.0 25.8
97.0 2.8
107.0 2.0
108.0 1.4
109.0 5.6
122.0 1.1
123.0 100.0
124.0 93.7
125.0 8.0
126.0 1.1
140.0 7.6
187.0 1.6
189.0 1.5
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C7 H5 F O
|
0.05 ml : 0.5 ml CDCl3
|
| m-fluorobenzaldehyde
|
 |
Assign. Shift(ppm)
A 9.996
B 7.683
C 7.56
D 7.53
E 7.332
|
Hz ppm Int.
3996.12 10.000 1000
3994.14 9.995 949
3076.02 7.697 355
3074.80 7.694 472
3073.43 7.691 350
3068.39 7.678 430
3067.32 7.676 583
3065.95 7.672 433
3025.51 7.571 310
3024.44 7.568 329
3023.99 7.567 310
3023.22 7.565 347
3022.77 7.564 355
3021.70 7.561 539
3016.82 7.549 604
3015.75 7.546 374
3014.07 7.542 581
3013.46 7.541 497
3008.58 7.529 368
3005.83 7.522 258
3000.64 7.509 256
2939.91 7.357 267
2938.84 7.354 267
2937.16 7.350 234
2936.10 7.347 227
2933.81 7.341 43
2931.67 7.336 425
2930.60 7.333 422
2928.92 7.329 382
2927.86 7.327 395
2925.42 7.320 34
2923.43 7.315 193
2922.21 7.312 209
2920.68 7.309 195
2919.62 7.306 189
-
| 1H NMR |
89.56 MHz |
| C7 H5 F O
|
0.04 ml : 0.5 ml CDCl3
|
| m-fluorobenzaldehyde
|
|
Assign. Shift(ppm)
A 9.995
B 7.76
C 7.63 to 7.50
D 7.34
|
Hz ppm Int.
896.26 10.008 973
894.29 9.986 898
712.28 7.954 103
705.10 7.873 138
703.56 7.856 151
702.91 7.849 88
701.07 7.828 92
700.42 7.821 91
694.41 7.754 134
693.68 7.746 157
693.16 7.740 124
692.36 7.731 283
690.97 7.716 185
690.53 7.711 181
687.08 7.672 254
686.28 7.663 341
685.84 7.658 487
684.96 7.649 560
683.86 7.636 1000
682.69 7.623 272
681.81 7.613 235
681.45 7.609 274
680.71 7.601 483
680.05 7.594 297
679.25 7.585 320
678.74 7.579 221
676.83 7.558 381
676.46 7.554 357
676.10 7.550 274
675.73 7.546 267
675.37 7.541 265
674.71 7.534 263
674.05 7.527 263
673.39 7.519 226
672.36 7.508 540
671.48 7.498 653
670.75 7.490 413
669.80 7.479 202
669.43 7.475 185
668.92 7.469 160
668.63 7.466 149
665.70 7.434 399
665.04 7.426 117
664.45 7.420 232
663.65 7.411 526
661.82 7.390 117
661.08 7.382 288
657.50 7.342 383
655.88 7.324 409
655.44 7.319 298
655.08 7.315 267
653.25 7.294 322
651.93 7.280 132
651.42 7.274 105
649.29 7.250 147
647.97 7.236 135
646.95 7.224 139
645.41 7.207 133