苯茚二酮(83-12-5)紅外圖譜(IR2)
InChI:InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H
InChIKey: NFBAXHOPROOJAW-UHFFFAOYSA-N
Smiles:C1(=O)C2=C(C=CC=C2)C(=O)C1C1=CC=CC=C1
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Mass
MS-NW-7232
2-phenyl-1,3-indandione
C15H10O2 (Mass of molecular ion: 222)
Source Temperature: 170 °C
Sample Temperature: 120 °C
Direct, 75 eV
39.0 2.2
50.0 4.2
51.0 2.5
62.0 1.5
63.0 3.9
64.0 1.3
69.5 1.3
74.0 1.6
75.0 2.1
76.0 10.9
77.0 3.1
81.5 1.1
82.0 4.2
82.5 3.9
83.0 1.7
89.0 6.4
90.0 6.5
104.0 6.8
105.0 3.3
111.0 2.8
115.0 1.3
118.0 1.0
139.0 2.4
163.0 2.7
164.0 3.4
165.0 37.8
166.0 8.3
177.0 1.0
193.0 4.2
194.0 9.9
195.0 1.5
221.0 2.9
222.0 100.0
223.0 16.5
224.0 1.7
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C15 H10 O2
|
0.067 g : 0.5 ml CDCl3
|
| 2-phenyl-1,3-indandione
|
 |
Assign. Shift(ppm)
A 8.043
B 7.872
C 7.328
D 7.291
E 7.182
F 4.263
90MHZ : HSP-04-956
|
Hz ppm Int.
3224.12 8.068 89
3222.66 8.064 118
3219.24 8.056 819
3216.06 8.048 764
3213.50 8.041 632
3210.45 8.034 1000
3206.91 8.025 108
3205.57 8.021 82
3154.66 7.894 122
3153.44 7.891 147
3149.90 7.882 965
3146.73 7.874 622
3144.17 7.868 716
3141.11 7.860 780
3138.79 7.854 36
3137.70 7.852 77
3136.11 7.848 53
2939.82 7.356 159
2938.11 7.352 224
2936.28 7.348 139
2933.72 7.341 235
2931.15 7.335 654
2929.32 7.330 341
2925.42 7.320 314
2923.95 7.317 687
2923.22 7.315 479
2921.39 7.310 151
2920.04 7.307 230
2918.33 7.303 436
2916.87 7.299 278
2914.06 7.292 132
2911.38 7.285 341
2907.84 7.276 87
2905.40 7.270 78
2903.93 7.267 115
2902.59 7.263 70
2874.39 7.193 508
2872.80 7.189 603
2870.61 7.183 181
2867.92 7.177 238
2867.43 7.175 270
2866.21 7.172 447
2865.84 7.171 472
2864.87 7.169 388
2862.18 7.162 57
1703.74 4.264 931
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| 1H NMR |
89.56 MHz |
| C15 H10 O2
|
0.067 g : 0.5 ml CDCl3
|
| 2-phenyl-1,3-indandione
|
|
Assign. Shift(ppm)
A 8.023
B 7.877
C 7.40 to 7.100
D 4.258
400MHZ : HSP-42-322
|
Hz ppm Int.
728.31 8.133 49
725.44 8.101 388
723.94 8.084 88
722.44 8.067 318
721.94 8.061 334
720.31 8.043 344
719.00 8.029 467
716.63 8.002 753
716.25 7.998 805
713.13 7.963 277
712.56 7.957 268
711.88 7.949 266
711.31 7.943 283
708.13 7.907 765
707.75 7.903 754
705.38 7.877 425
704.06 7.862 363
702.50 7.844 355
702.00 7.839 337
698.94 7.805 402
696.06 7.772 77
695.25 7.763 56
694.81 7.759 62
663.50 7.409 78
662.94 7.403 62
662.13 7.394 71
660.81 7.379 93
659.69 7.366 308
658.06 7.348 334
657.13 7.338 266
654.75 7.311 649
653.81 7.301 663
652.56 7.287 1000
652.13 7.282 959
649.88 7.257 706
648.81 7.245 493
646.63 7.221 669
643.56 7.186 361
642.50 7.174 377
641.13 7.159 222
638.81 7.133 282
636.56 7.108 204
634.69 7.087 70
381.44 4.260 878