2-甲基磺酰苯乙酮(3708-04-1)核磁圖(1HNMR)
InChI:InChI=1S/C9H10O3S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey: CAUSPZIZBLGLKW-UHFFFAOYSA-N
Smiles:C(=O)(C1=CC=CC=C1)CS(C)(=O)=O
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Mass
MS-NW-2358
alpha-mesylacetophenone
C9H10O3S (Mass of molecular ion: 198)
Source Temperature: 280 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
15.0 2.9
17.0 1.7
18.0 8.2
27.0 1.0
28.0 3.2
32.0 1.9
39.0 2.9
44.0 1.4
50.0 3.2
51.0 10.4
63.0 1.5
65.0 4.7
76.0 1.4
77.0 31.9
78.0 3.2
79.0 2.3
89.0 1.0
91.0 8.1
105.0 100.0
106.0 7.4
198.0 4.7
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C9 H10 O3 S
|
0.041 g : 0.5 ml CDCl3
|
| alpha-mesylacetophenone
|
 |
Assign. Shift(ppm)
A 7.995
B 7.647
C 7.518
D 4.627
E 3.141
|
Hz ppm Int.
3201.90 8.012 38
3200.07 8.008 196
3199.46 8.006 156
3198.85 8.005 242
3197.14 8.000 94
3193.60 7.991 74
3191.65 7.987 258
3190.31 7.983 235
3065.92 7.672 39
3064.58 7.669 72
3063.35 7.666 45
3058.96 7.655 49
3057.13 7.650 145
3055.42 7.646 60
3051.03 7.635 68
3049.80 7.632 115
3048.46 7.628 64
3013.18 7.540 48
3011.47 7.536 196
3009.89 7.532 90
3003.91 7.517 213
3003.42 7.516 255
3002.20 7.513 93
2997.80 7.502 60
2995.97 7.497 128
2995.48 7.496 103
2994.38 7.493 38
1849.49 4.628 493
1848.63 4.626 491
1256.10 3.144 534
1255.25 3.141 1000
1254.39 3.139 658
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| 1H NMR |
89.56 MHz |
| C9 H10 O3 S
|
0.042 g : 0.5 ml CDCl3
|
| alpha-mesylacetophenone
|
|
Assign. Shift(ppm)
A 7.99
B 7.79 to 7.37
C 4.62
D 3.14
|
Hz ppm Int.
721.06 8.052 139
719.50 8.034 154
717.81 8.015 61
717.25 8.009 60
715.44 7.989 57
713.25 7.964 171
711.31 7.943 222
687.00 7.671 64
686.06 7.661 84
683.44 7.632 45
681.88 7.614 114
680.06 7.594 193
679.31 7.585 209
678.75 7.579 237
677.00 7.560 96
674.56 7.532 69
672.94 7.514 76
671.38 7.497 162
669.88 7.480 34
665.38 7.430 51
662.63 7.399 40
413.88 4.622 467
413.06 4.613 451
281.94 3.149 542
281.13 3.140 1000
280.31 3.130 488