環(huán)戊酮肟(1192-28-5)質(zhì)譜(MS)
InChI:InChI=1S/C5H9NO/c7-6-5-3-1-2-4-5/h7H,1-4H2
InChIKey: YGNXYFLJZILPEK-UHFFFAOYSA-N
Smiles:C1(=N/O)/CCCC/1
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Mass
MS-NW-7654
cyclopentanone oxime
C5H9NO (Mass of molecular ion: 99)
Source Temperature: 260 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
15.0 1.9
18.0 3.4
26.0 5.5
27.0 20.1
28.0 16.3
29.0 15.8
30.0 1.6
31.0 2.0
37.0 1.5
38.0 3.4
39.0 23.6
40.0 5.7
41.0 36.9
42.0 8.8
43.0 2.7
44.0 6.5
45.0 1.5
50.0 1.7
51.0 3.0
52.0 4.8
53.0 10.8
54.0 49.8
55.0 100.0
56.0 5.9
57.0 4.9
58.0 1.0
59.0 1.8
65.0 2.2
66.0 3.1
67.0 29.3
68.0 3.8
70.0 6.1
71.0 2.9
72.0 1.5
80.0 7.6
81.0 1.5
82.0 40.0
83.0 5.8
84.0 5.2
98.0 6.3
99.0 52.5
100.0 3.7
400 MHz in DMSO-d6
90 MHz in D2O
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| 1H NMR |
399.65 MHz |
| C5 H9 N O
|
0.040 g : 0.5 ml DMSO-d6
|
| cyclopentanone oxime
|
 |
Assign. Shift(ppm)
A 10.18
B 2.25
C 2.23
D 1.66
E 1.64
ASSIGNED BY C-H COSY.
|
Hz ppm Int.
4066.47 10.176 1000
908.97 2.275 145
907.90 2.272 128
906.37 2.268 97
900.88 2.255 297
898.59 2.249 186
897.52 2.246 180
896.15 2.243 279
895.39 2.241 286
893.71 2.237 196
892.49 2.234 201
891.11 2.230 292
890.05 2.228 325
888.98 2.225 282
885.62 2.216 85
884.09 2.213 145
883.03 2.210 155
675.96 1.692 36
672.30 1.683 149
668.03 1.672 141
666.50 1.668 186
664.67 1.664 311
663.60 1.661 332
661.62 1.656 275
660.71 1.654 351
659.18 1.650 357
657.35 1.645 234
656.13 1.642 340
655.06 1.640 328
653.23 1.635 175
647.74 1.621 141
645.29 1.615 37
643.77 1.611 30
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| 1H NMR |
89.56 MHz |
| C5 H9 N O
|
0.038 g : 0.5 ml D2O
|
| cyclopentanone oxime
|
|
Assign. Shift(ppm)
A 2.40
B 1.765
SOLVENT PEAK REMOVED
|
Hz ppm Int.
223.00 2.490 198
220.38 2.461 340
217.13 2.425 672
210.06 2.346 906
204.31 2.282 359
185.25 2.069 28
184.25 2.058 28
166.19 1.856 458
161.44 1.803 608
158.13 1.766 1000
154.69 1.728 548
150.81 1.684 315