奎寧環(huán)(100-76-5)質(zhì)譜(MS)
InChI:InChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2
InChIKey: SBYHFKPVCBCYGV-UHFFFAOYSA-N
Smiles:N12CCC(CC1)CC2
-
Mass
MS-NW-7215
quinuclidine
C7H13N (Mass of molecular ion: 111)
Source Temperature: 210 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 2.2
26.0 1.0
27.0 7.6
28.0 5.4
29.0 4.8
30.0 2.0
39.0 6.6
40.0 1.3
41.0 10.8
42.0 100.0
43.0 5.2
44.0 1.2
51.0 1.1
53.0 3.8
54.0 5.9
55.0 19.7
56.0 6.1
57.0 8.8
67.0 2.0
68.0 5.5
69.0 12.6
70.0 2.5
80.0 1.0
81.0 2.4
82.0 31.3
83.0 13.4
84.0 1.6
96.0 19.7
97.0 1.6
110.0 17.8
111.0 32.6
112.0 2.7
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C7 H13 N
|
0.034 g : 0.5 ml CDCl3
|
| quinuclidine
|
 |
Assign. Shift(ppm)
A 2.855
B 1.734
C 1.532
J(B,C)=3.2HZ.
90MHZ. : HSP-04-861
|
Hz ppm Int.
1159.91 2.903 57
1159.55 2.902 57
1149.05 2.876 936
1141.24 2.856 953
1138.92 2.850 687
1133.30 2.836 1000
1122.31 2.809 36
703.13 1.760 34
699.95 1.752 127
696.66 1.744 298
693.48 1.736 416
690.31 1.728 341
687.13 1.720 159
683.96 1.712 42
621.09 1.555 606
617.80 1.546 653
615.97 1.542 538
612.55 1.533 780
610.84 1.529 765
605.47 1.516 658
602.17 1.507 539
-
| 1H NMR |
89.56 MHz |
| C7 H13 N
|
0.038 g : 0.5 ml CDCl3
|
| quinuclidine
|
|
Assign. Shift(ppm)
A 2.847
B 1.74
C 1.53
400MHZ. : HSP-41-773
|
Hz ppm Int.
264.00 2.948 784
256.31 2.862 925
253.56 2.832 647
248.50 2.775 1000
242.94 2.713 81
242.50 2.708 76
240.69 2.688 59
162.25 1.812 75
159.13 1.777 174
156.00 1.742 266
152.94 1.708 283
150.13 1.677 230
145.75 1.628 656
143.06 1.598 567
141.06 1.576 525
140.75 1.572 527
140.44 1.569 525
137.94 1.541 776
130.50 1.458 581
127.63 1.426 403
123.13 1.375 67