4-甲基二苯甲酮(134-84-9)質(zhì)譜(MS)
InChI:InChI=1S/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey: WXPWZZHELZEVPO-UHFFFAOYSA-N
Smiles:C(C1=CC=C(C)C=C1)(C1=CC=CC=C1)=O
-
Mass
MS-IW-9268
4-methylbenzophenone
C14H12O (Mass of molecular ion: 196)
Source Temperature: 210 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
28.0 1.0
39.0 3.1
41.0 1.0
50.0 1.8
51.0 6.7
63.0 2.4
65.0 10.2
76.0 1.5
77.0 20.6
78.0 1.5
83.0 1.5
84.0 3.3
89.0 2.7
90.0 1.7
91.0 26.8
92.0 2.1
105.0 29.1
106.0 2.3
119.0 100.0
120.0 8.8
152.0 1.8
165.0 2.2
167.0 1.4
181.0 7.3
182.0 1.2
195.0 5.1
196.0 40.8
197.0 6.3
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C14 H12 O
|
0.042 g : 0.5 ml CDCl3
|
| 4-methylbenzophenone
|
 |
Assign. Shift(ppm)
A 7.781
B 7.722
C 7.563
D 7.468
E 7.275
F 2.430
|
Hz ppm Int.
3116.09 7.798 48
3114.38 7.793 247
3113.65 7.791 213
3113.04 7.790 340
3111.82 7.787 137
3111.33 7.786 127
3108.03 7.777 99
3106.08 7.773 369
3104.61 7.769 339
3091.80 7.737 62
3089.97 7.732 334
3088.38 7.728 127
3083.50 7.716 122
3081.91 7.712 354
3080.08 7.707 74
3032.84 7.589 44
3031.49 7.586 86
3030.15 7.583 53
3026.25 7.573 61
3024.17 7.568 167
3022.09 7.562 74
3018.07 7.552 97
3016.72 7.549 173
3015.38 7.546 90
2992.80 7.489 58
2991.58 7.486 178
2991.09 7.485 248
2989.62 7.481 123
2984.50 7.468 176
2983.28 7.465 333
2981.81 7.462 110
2977.66 7.451 70
2976.07 7.447 159
2975.22 7.445 116
2974.37 7.443 53
2913.70 7.291 53
2911.99 7.287 255
2911.25 7.285 303
2910.77 7.284 226
2910.03 7.282 153
2909.30 7.280 108
2905.40 7.270 86
2904.79 7.269 120
2904.05 7.267 187
2903.44 7.265 279
2902.83 7.264 251
2901.00 7.259 58
971.80 2.432 1000
-
| 1H NMR |
89.56 MHz |
| C14 H12 O
|
0.040 g : 0.5 ml CDCl3
|
| 4-methylbenzophenone
|
|
Assign. Shift(ppm)
A 7.79 to 7.67
B 7.54 to 7.43
C 7.27
D 2.425
|
Hz ppm Int.
704.50 7.867 42
701.56 7.834 186
699.88 7.815 203
698.06 7.795 123
697.13 7.784 124
695.25 7.763 295
694.69 7.757 346
693.25 7.741 181
691.88 7.726 328
690.50 7.710 114
688.88 7.692 124
687.13 7.673 423
685.38 7.653 93
684.13 7.639 57
679.31 7.585 78
678.19 7.573 104
674.75 7.535 206
672.88 7.514 482
671.06 7.493 192
670.13 7.483 151
669.69 7.478 148
667.50 7.454 121
666.56 7.443 165
665.81 7.435 188
665.44 7.431 205
663.63 7.410 51
663.19 7.405 43
661.88 7.391 45
660.38 7.374 75
658.94 7.358 37
656.94 7.336 56
655.00 7.314 262
654.31 7.306 313
653.81 7.301 216
653.00 7.292 124
652.25 7.283 92
649.00 7.247 102
648.44 7.241 63
647.75 7.233 88
647.13 7.226 146
646.44 7.218 229
645.81 7.211 194
644.00 7.191 35
217.25 2.426 1000