3-甲基-2-環(huán)己烯-1-酮(1193-18-6)核磁圖(13CNMR)
InChI:InChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3
InChIKey: IITQJMYAYSNIMI-UHFFFAOYSA-N
Smiles:C1(=O)CCCC(C)=C1
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Mass
MS-NW-5620
3-methyl-2-cyclohexen-1-one
C7H10O (Mass of molecular ion: 110)
Source Temperature: 270 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
26.0 1.0
27.0 7.7
28.0 2.4
29.0 1.1
38.0 2.3
39.0 24.0
40.0 3.3
41.0 6.7
42.0 3.5
50.0 1.8
51.0 2.9
52.0 1.8
53.0 6.8
54.0 26.4
55.0 2.1
65.0 1.3
67.0 5.6
68.0 1.0
77.0 1.2
79.0 1.4
81.0 1.0
82.0 100.0
83.0 5.6
110.0 38.9
111.0 3.2
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C7 H10 O
|
0.04 ml : 0.5 ml CDCl3
|
| 3-methyl-2-cyclohexen-1-one
|
 |
Assign. Shift(ppm)
A 5.369
B 2.39 to 2.24
C 2.04
D 1.96
|
Hz ppm Int.
527.81 5.894 120
526.44 5.879 250
525.13 5.864 258
523.75 5.849 131
522.44 5.834 35
218.13 2.436 50
217.13 2.425 75
215.94 2.412 131
213.88 2.389 43
212.44 2.373 112
210.25 2.348 286
208.63 2.330 174
207.75 2.320 179
205.75 2.298 194
203.88 2.277 375
202.25 2.259 228
201.00 2.245 184
200.25 2.236 162
199.88 2.232 159
199.25 2.225 151
198.56 2.218 118
195.94 2.188 35
190.31 2.125 160
188.25 2.102 161
185.63 2.073 123
185.00 2.066 106
183.63 2.051 168
182.50 2.038 200
181.25 2.024 44
179.75 2.008 99
178.69 1.996 90
177.19 1.979 620
176.50 1.971 1000
175.81 1.964 878
175.19 1.957 944
174.38 1.948 499
172.19 1.923 104
171.31 1.913 113
169.50 1.893 56
165.94 1.853 31
163.56 1.827 37
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| 1H NMR |
399.65 MHz |
| C7 H10 O
|
0.05 ml : 0.5 ml CDCl3
|
| 3-methyl-2-cyclohexen-1-one
|
|
Assign. Shift(ppm)
A 5.857
B 2.328
C 2.31
D 2.00
E 1.97
90MHZ : HSP-03-618
|
Hz ppm Int.
2344.48 5.867 68
2343.14 5.863 197
2341.80 5.860 336
2340.33 5.856 346
2338.99 5.853 213
937.62 2.347 418
935.18 2.340 98
934.45 2.339 102
931.15 2.330 472
929.81 2.327 346
928.34 2.323 230
927.61 2.322 235
926.76 2.319 238
924.07 2.313 522
922.00 2.308 376
921.39 2.306 380
915.77 2.292 236
915.16 2.290 238
810.42 2.028 157
807.98 2.022 63
804.08 2.012 323
799.19 2.000 174
798.10 1.997 330
797.12 1.995 390
790.89 1.979 419
788.33 1.973 935
787.11 1.970 1000