Cyclooctanecarbaldehyde(6688-11-5) 1H NMR
Molecular FormulaC9H16O
Molecular Weight140.22
InChI
InChIKey
Smiles
-
Mass
MS-NW-7539
cyclooctanecarbaldehyde
C9H16O (Mass of molecular ion: 140)
Source Temperature: 260 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
15.0 1.2
26.0 1.2
27.0 19.3
28.0 3.8
29.0 17.7
31.0 1.1
39.0 22.3
40.0 3.5
41.0 64.2
42.0 8.5
43.0 12.5
50.0 1.0
51.0 2.3
52.0 1.1
53.0 6.6
54.0 7.6
55.0 63.0
56.0 7.3
57.0 12.1
58.0 5.3
65.0 1.6
66.0 1.6
67.0 16.6
68.0 6.6
69.0 100.0
70.0 11.6
71.0 3.1
72.0 2.7
73.0 1.3
77.0 1.6
79.0 5.3
80.0 5.7
81.0 10.5
82.0 4.7
83.0 9.9
84.0 4.8
85.0 1.3
91.0 1.1
93.0 7.1
94.0 5.5
95.0 1.7
96.0 11.5
97.0 5.1
98.0 9.0
99.0 1.8
107.0 3.3
109.0 3.2
111.0 13.1
112.0 3.2
122.0 6.4
140.0 1.8
90 MHz in CDCl3
400 MHz in CDCl3
-
1H NMR |
89.56 MHz |
C9 H16 O
|
0.05 ml : 0.5 ml CDCl3
|
cyclooctanecarbaldehyde
|
|
Assign. Shift(ppm)
A 9.606
B 2.36
C 1.80
D 1.57
J(A,B)=1.1HZ
|
Hz ppm Int.
860.94 9.614 239
859.88 9.602 235
213.88 2.389 31
213.75 2.387 31
213.31 2.382 31
212.94 2.378 31
212.38 2.372 32
211.81 2.366 31
210.50 2.351 37
209.00 2.334 32
207.56 2.318 30
176.44 1.971 61
176.31 1.969 61
175.75 1.963 61
175.25 1.957 60
174.56 1.950 58
173.31 1.936 58
172.50 1.927 57
172.31 1.924 57
171.63 1.917 57
171.31 1.913 56
171.19 1.912 56
170.69 1.906 56
169.81 1.897 57
169.50 1.893 58
161.38 1.802 89
160.75 1.795 90
160.06 1.788 90
159.50 1.781 92
158.94 1.775 92
158.38 1.769 94
157.06 1.754 99
155.38 1.735 107
153.88 1.719 116
152.31 1.701 123
140.63 1.571 1000
116.06 1.296 37
114.44 1.278 33
113.63 1.269 31
-
1H NMR |
399.65 MHz |
C9 H16 O
|
0.05 ml : 0.5 ml CDCl3
|
cyclooctanecarbaldehyde
|
|
Assign. Shift(ppm)
A 9.611
B 2.374
C *1 1.959
D *1 1.72
E 1.56
|
Hz ppm Int.
3841.71 9.613 542
3840.48 9.610 613
687.87 1.722 191
659.79 1.651 68
659.18 1.650 68
631.26 1.580 477
628.81 1.574 496
622.25 1.557 1000
612.34 1.533 446