1-苯基癸-1,3-二酮(13702-35-7)红外图谱(IR1)
InChI:
InChIKey:
Smiles:
-
Mass
MS-NW-7862
3,3-diphenylacrylaldehyde
C15H12O (Mass of molecular ion: 208)
Source Temperature: 140 °C
Sample Temperature: 110 °C
Direct, 75 eV
18.0 1.6
39.0 3.0
50.0 2.8
51.0 11.0
52.0 2.6
63.0 4.2
64.0 1.1
65.0 1.9
74.0 1.5
75.0 3.5
76.0 9.6
77.0 14.1
78.0 4.3
79.0 1.4
82.5 1.5
87.0 1.2
88.0 3.0
89.0 9.2
89.5 1.6
91.0 1.2
101.0 1.1
102.0 32.7
103.0 8.4
104.0 3.8
105.0 9.4
106.0 2.7
115.0 2.5
121.0 1.6
126.0 1.6
127.0 1.2
128.0 1.0
130.0 1.9
131.0 10.4
132.0 1.6
134.0 9.9
135.0 2.1
139.0 2.1
150.0 2.0
151.0 5.5
152.0 9.4
153.0 1.8
162.0 1.0
163.0 12.1
164.0 2.2
165.0 11.6
166.0 2.0
167.0 2.1
175.0 1.0
176.0 10.3
177.0 8.2
178.0 44.1
179.0 33.3
180.0 10.0
181.0 1.3
183.0 1.3
207.0 100.0
208.0 96.9
209.0 14.9
210.0 1.4
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR |
399.65 MHz |
C15 H12 O
|
0.040 g : 0.5 ml CDCl3
|
3,3-diphenylacrylaldehyde
|
|
Assign. Shift(ppm)
A 9.532
B *1 7.48
C *2 7.44
D *1 7.41
E *2 7.37
F *3 7.36
G *3 7.31
J 6.603
ASSIGNED BY H-H COSY AND LAOCN PROGRAM.
|
Hz ppm Int.
3813.78 9.543 660
3805.69 9.523 668
2997.74 7.501 56
2996.22 7.498 42
2995.00 7.495 34
2990.88 7.484 146
2989.81 7.482 173
2987.21 7.475 119
2985.53 7.471 246
2983.86 7.467 442
2982.64 7.464 408
2982.03 7.462 382
2980.96 7.459 232
2978.36 7.453 132
2976.99 7.449 219
2975.62 7.446 432
2974.85 7.444 324
2973.63 7.441 118
2972.72 7.439 98
2971.80 7.437 117
2971.04 7.435 113
2969.36 7.430 189
2968.14 7.427 211
2966.61 7.424 207
2965.09 7.420 120
2964.63 7.419 117
2962.49 7.413 152
2961.88 7.412 155
2959.59 7.406 157
2958.07 7.402 34
2956.70 7.399 57
2955.17 7.395 125
2954.10 7.392 133
2952.58 7.388 104
2949.37 7.380 117
2946.93 7.374 590
2946.17 7.372 485
2944.79 7.369 271
2943.57 7.366 607
2940.98 7.359 1000
2940.06 7.357 582
2937.93 7.352 95
2936.25 7.348 67
2935.79 7.346 67
2935.03 7.345 107
2932.43 7.338 41
2927.25 7.325 67
2924.50 7.318 423
2923.13 7.315 426
2922.36 7.313 227
2921.45 7.311 163
2918.85 7.304 128
2916.87 7.299 300
2915.04 7.294 312
2914.12 7.292 97
2643.13 6.614 508
2635.04 6.594 511
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1H NMR |
89.56 MHz |
C15 H12 O
|
0.046 g : 0.5 ml CDCl3
|
3,3-diphenylacrylaldehyde
|
|
Assign. Shift(ppm)
A 9.529
B 7.49 to 7.24
C 6.599
J(A,C)=7.9HZ
|
Hz ppm Int.
857.50 9.575 217
849.56 9.486 228
674.94 7.537 28
671.69 7.500 161
668.88 7.469 189
667.81 7.457 186
665.63 7.433 243
664.88 7.424 272
662.13 7.394 344
660.19 7.372 1000
658.31 7.351 339
656.00 7.325 181
654.94 7.313 153
653.38 7.296 113
653.25 7.294 113
651.81 7.278 128
650.69 7.266 79
647.75 7.233 59
594.94 6.643 194
586.94 6.554 184