10,11-二氫二苯并[a,b]環(huán)庚烯-5-酮(1210-35-1)紅外圖譜(IR1)
InChI:InChI=1S/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8H,9-10H2
InChIKey: BMVWCPGVLSILMU-UHFFFAOYSA-N
Smiles:C12=CC=CC=C1C(=O)C1=CC=CC=C1CC2
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Mass
MS-NW-5881
10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-one
C15H12O (Mass of molecular ion: 208)
Source Temperature: 270 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
27.0 1.1
39.0 4.2
50.0 2.9
51.0 5.5
52.0 1.0
62.0 1.9
63.0 6.3
64.0 2.1
65.0 1.6
74.0 2.0
75.0 2.9
76.0 9.7
76.5 1.1
77.0 6.3
78.0 1.6
82.5 2.2
87.0 1.4
88.0 3.4
88.5 1.3
89.0 16.0
89.5 2.4
90.0 6.2
91.0 2.7
102.0 2.1
103.0 3.4
103.5 1.0
104.0 1.2
105.0 1.4
115.0 2.4
126.0 1.3
127.0 1.0
128.0 1.2
130.0 1.9
131.0 2.4
139.0 2.3
150.0 1.6
151.0 4.4
152.0 8.4
153.0 2.0
163.0 1.3
164.0 1.2
165.0 23.0
166.0 3.6
176.0 5.8
177.0 5.4
178.0 33.3
179.0 47.7
180.0 49.3
181.0 7.5
191.0 1.5
193.0 5.4
194.0 1.1
206.0 1.6
207.0 32.6
208.0 100.0
209.0 16.2
210.0 1.4
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C15 H12 O
|
0.05 ml : 0.5 ml CDCl3
|
| 10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-one
|
 |
Assign. Shift(ppm)
A 7.992
B 7.372
C 7.278
D 7.159
E 3.127
|
Hz ppm Int.
3198.97 8.005 240
3197.63 8.002 231
3191.16 7.985 252
3189.70 7.982 244
2955.44 7.396 125
2953.98 7.392 126
2948.12 7.377 291
2946.53 7.373 270
2940.67 7.359 213
2939.09 7.355 196
2916.26 7.298 171
2915.04 7.294 178
2908.57 7.278 230
2907.35 7.275 230
2901.12 7.260 121
2899.78 7.256 116
2865.11 7.170 247
2864.01 7.167 232
2857.42 7.150 207
2856.45 7.148 197
1249.88 3.128 1000
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| 1H NMR |
89.56 MHz |
| C15 H12 O
|
0.04 ml : 0.5ml CDCl3
|
| 10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-one
|
|
Assign. Shift(ppm)
A 7.996
B 7.40
C 7.30
D 7.19
E 3.180
|
Hz ppm Int.
721.63 8.058 102
721.00 8.051 103
719.75 8.037 104
718.50 8.023 88
714.31 7.976 261
712.25 7.953 159
711.81 7.948 155
673.25 7.518 35
671.31 7.496 53
666.88 7.447 33
665.94 7.436 155
664.38 7.419 101
663.94 7.414 116
661.06 7.382 136
659.63 7.366 416
658.44 7.352 342
657.06 7.337 284
653.81 7.301 131
651.75 7.278 206
648.00 7.236 249
645.88 7.212 164
644.38 7.195 46
642.19 7.171 58
641.75 7.166 51
640.94 7.157 59
639.25 7.138 72
284.88 3.181 1000