5-二苯并环庚烯酮(2222-33-5)质谱(MS)
InChI:InChI=1S/C15H10O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10H
InChIKey: SNVTZAIYUGUKNI-UHFFFAOYSA-N
Smiles:C12=CC=CC=C1C(=O)C1=CC=CC=C1C=C2
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Mass
MS-NW-6551
5H-dibenzo(a,d)cyclohepten-5-one
C15H10O (Mass of molecular ion: 206)
Source Temperature: 140 °C
Sample Temperature: 110 °C
Direct, 75 eV
39.0 2.8
50.0 3.2
51.0 3.5
62.0 2.6
63.0 6.4
74.0 3.5
75.0 6.4
75.5 1.2
76.0 18.0
76.5 2.2
77.0 1.9
86.0 1.5
87.0 3.1
87.5 1.0
88.0 12.8
88.5 3.6
89.0 13.2
89.5 1.9
98.0 1.6
99.0 1.2
101.0 1.0
102.0 1.2
103.0 2.8
126.0 2.0
128.0 1.0
139.0 1.7
150.0 5.5
151.0 9.6
152.0 10.8
153.0 1.4
174.0 1.6
175.0 2.8
176.0 19.8
177.0 12.6
178.0 100.0
179.0 15.2
180.0 1.3
205.0 1.0
206.0 78.1
207.0 12.9
208.0 1.4
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C15 H10 O
|
0.046 g : 0.5 ml CDCl3
|
| 5H-dibenzo(a,d)cyclohepten-5-one
|
 |
Assign. Shift(ppm)
A 8.20
B 7.71 to 7.35
C 6.990
|
Hz ppm Int.
740.44 8.268 56
739.69 8.260 117
737.75 8.238 141
737.13 8.231 114
734.50 8.202 124
732.38 8.178 116
731.81 8.172 122
730.75 8.160 89
729.63 8.147 227
687.06 7.672 45
683.19 7.629 41
682.19 7.618 110
678.94 7.581 146
676.88 7.558 191
676.06 7.549 536
675.50 7.543 605
673.38 7.519 478
672.94 7.514 479
672.19 7.506 274
671.06 7.493 487
670.06 7.482 474
667.38 7.452 60
666.19 7.439 185
663.31 7.407 69
661.25 7.384 83
626.06 6.991 1000
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| 1H NMR |
399.65 MHz |
| C15 H10 O
|
0.044 g : 0.5 ml CDCl3
|
| 5H-dibenzo(a,d)cyclohepten-5-one
|
|
Assign. Shift(ppm)
A 8.204
B 7.585
C 7.51
D 7.49
E 7.003
|
Hz ppm Int.
3283.45 8.216 189
3282.10 8.213 207
3275.76 8.197 202
3274.29 8.193 221
3041.14 7.610 115
3039.67 7.606 121
3033.69 7.591 251
3032.10 7.587 300
3030.15 7.583 31
3026.25 7.573 266
3024.66 7.569 249
3009.64 7.531 199
3008.18 7.528 281
3005.98 7.522 36
3002.32 7.513 190
3001.83 7.512 194
3000.49 7.508 356
2997.80 7.502 280
2997.19 7.500 347
2996.34 7.498 249
2994.51 7.493 172
2993.04 7.490 171
2989.75 7.481 203
2988.77 7.479 177
2798.95 7.004 1000