N-乙基-3-羥基哌啶(13444-24-1)質(zhì)譜(MS)
InChI:InChI=1S/C7H15NO/c1-2-8-5-3-4-7(9)6-8/h7,9H,2-6H2,1H3
InChIKey: ZNPSUOAGONLMLK-UHFFFAOYSA-N
Smiles:N1(CC)CCCC(O)C1
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Mass
MS-NW-5481
1-ethyl-3-piperidinol
C7H15NO (Mass of molecular ion: 129)
Source Temperature: 250 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 3.9
18.0 1.7
26.0 1.2
27.0 9.9
28.0 10.4
29.0 8.5
30.0 11.2
31.0 1.8
39.0 4.3
40.0 1.1
41.0 10.2
42.0 42.9
43.0 11.6
44.0 18.4
45.0 1.0
53.0 1.5
54.0 2.6
55.0 4.8
56.0 10.0
57.0 37.7
58.0 14.9
67.0 1.6
68.0 2.2
69.0 1.4
70.0 5.4
71.0 6.8
72.0 31.8
73.0 1.8
80.0 1.4
82.0 2.6
84.0 8.2
85.0 3.2
86.0 5.3
96.0 4.6
98.0 4.0
100.0 5.8
108.0 1.2
110.0 2.7
111.0 1.6
112.0 1.9
114.0 100.0
115.0 7.5
128.0 10.4
129.0 22.9
130.0 2.1
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C7 H15 N O
|
0.05 ml : 0.5 ml CDCl3
|
| 1-ethyl-3-piperidinol
|
 |
Assign. Shift(ppm)
A 4.06
B 3.763
C 2.701
D 2.50
E 2.414
F 2.20 to 2.120
G 1.80 to 1.730
J 1.548
K 1.384
L 1.070
90MHZ. : HSP-03-349
ASSIGNED BY COSY.
|
Hz ppm Int.
1514.04 3.789 31
1510.74 3.781 53
1506.35 3.770 66
1502.93 3.761 91
1499.39 3.752 62
1495.12 3.742 49
1084.59 2.714 41
1083.98 2.713 41
1080.81 2.705 38
1080.44 2.704 37
1080.08 2.703 37
1075.93 2.693 42
1075.44 2.691 43
1074.10 2.688 42
1005.25 2.516 39
1005.00 2.515 39
1004.03 2.513 40
1002.56 2.509 41
1002.08 2.508 41
999.88 2.502 43
999.39 2.501 43
998.29 2.498 44
997.92 2.497 44
996.95 2.495 43
996.58 2.494 43
995.00 2.490 44
994.63 2.489 44
993.90 2.487 45
988.89 2.475 36
981.69 2.457 32
976.56 2.444 96
974.98 2.440 102
969.24 2.426 269
967.77 2.422 281
962.04 2.408 270
960.69 2.404 285
954.71 2.389 97
953.49 2.386 105
879.03 2.200 36
869.14 2.175 59
867.80 2.172 59
866.58 2.169 59
865.84 2.167 59
865.48 2.166 59
864.75 2.164 58
864.38 2.163 58
863.77 2.162 58
863.40 2.161 58
862.43 2.158 58
861.57 2.156 58
860.72 2.154 58
859.74 2.152 57
859.25 2.151 57
858.28 2.148 56
714.11 1.787 60
711.18 1.780 96
708.62 1.774 96
705.44 1.766 87
701.90 1.757 109
698.85 1.749 103
696.04 1.742 83
692.75 1.734 51
689.45 1.726 30
629.27 1.575 35
623.78 1.561 66
620.12 1.552 62
614.75 1.539 67
611.08 1.530 53
605.47 1.516 30
564.94 1.414 31
564.58 1.413 31
556.15 1.392 50
551.64 1.381 35
550.42 1.378 36
547.97 1.372 42
440.92 1.104 31
434.81 1.088 539
431.40 1.080 55
427.61 1.070 1000
420.29 1.052 468
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| 1H NMR |
89.56 MHz |
| C7 H15 N O
|
0.04 ml : 0.5 ml CDCl3
|
| 1-ethyl-3-piperidinol
|
|
Assign. Shift(ppm)
A 3.78
B 3.57
C 2.624
D 2.40
E 2.42 to 2.17
F 1.88 to 1.27
G 1.064
J(A,C)=3.0HZ.
400MHZ. HSP-40-467.
|
Hz ppm Int.
343.38 3.835 30
341.38 3.812 47
340.38 3.801 45
338.19 3.777 65
336.44 3.757 48
334.88 3.740 51
331.00 3.696 48
320.00 3.574 199
243.88 2.724 51
240.88 2.690 53
233.00 2.602 95
229.88 2.567 105
227.31 2.539 120
226.75 2.532 119
225.19 2.515 39
224.44 2.507 35
219.63 2.453 455
215.25 2.404 88
214.56 2.396 86
212.44 2.373 576
209.56 2.340 119
207.00 2.312 168
205.69 2.297 230
205.31 2.293 224
200.06 2.234 148
196.31 2.192 83
193.75 2.164 37
193.13 2.157 36
192.56 2.151 36
192.19 2.146 35
189.13 2.112 75
167.00 1.865 34
163.75 1.829 47
161.13 1.800 65
160.69 1.795 63
158.19 1.767 101
155.06 1.732 73
152.69 1.705 137
150.75 1.684 131
149.50 1.670 116
145.81 1.629 108
144.13 1.610 84
143.81 1.606 84
141.44 1.580 77
139.88 1.562 91
137.88 1.540 84
136.50 1.525 79
135.13 1.509 74
132.56 1.481 65
128.13 1.431 60
126.50 1.413 53
124.94 1.396 35
124.63 1.392 35
123.81 1.383 30
121.31 1.355 47
102.31 1.143 481
95.38 1.065 1000
91.81 1.026 35
90.94 1.016 39
88.00 0.983 364