1,8-辛二醇(629-41-4)核磁圖(13CNMR)
InChI:InChI=1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2
InChIKey: OEIJHBUUFURJLI-UHFFFAOYSA-N
Smiles:C(O)CCCCCCCO
-
Mass
MS-NW-4656
1,8-octanediol
C8H18O2 (Mass of molecular ion: 146)
Source Temperature: 250 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 1.5
18.0 3.8
19.0 1.5
26.0 1.1
27.0 18.7
28.0 6.0
29.0 23.1
31.0 52.4
39.0 15.3
40.0 3.7
41.0 76.4
42.0 32.4
43.0 35.9
44.0 14.3
45.0 8.8
49.0 1.0
51.0 1.2
53.0 7.8
54.0 52.7
55.0 100.0
56.0 36.1
57.0 30.9
58.0 4.6
59.0 1.7
65.0 1.1
66.0 4.7
67.0 87.8
68.0 77.4
69.0 41.9
70.0 25.1
71.0 13.2
72.0 4.4
73.0 3.1
77.0 1.0
79.0 3.0
80.0 1.7
81.0 35.0
82.0 68.8
83.0 10.7
84.0 2.6
85.0 12.4
86.0 1.3
93.0 1.1
95.0 12.0
96.0 1.4
97.0 1.4
98.0 9.3
99.0 2.0
109.0 1.6
110.0 1.8
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C8 H18 O2
|
0.049 g : 0.5 ml CDCl3
|
| 1,8-octanediol
|
 |
Assign. Shift(ppm)
A 3.632
B 1.68
C 1.563
D 1.36
E 1.34
|
Hz ppm Int.
1458.13 3.649 513
1451.54 3.633 990
1444.95 3.616 507
671.63 1.681 205
639.16 1.600 69
638.43 1.598 69
632.32 1.583 206
631.84 1.581 205
625.12 1.565 321
618.29 1.548 265
614.01 1.537 71
611.57 1.531 99
561.04 1.404 38
558.96 1.399 51
558.72 1.399 51
558.47 1.398 51
550.17 1.377 174
548.46 1.373 175
545.04 1.364 233
534.42 1.338 935
533.57 1.336 1000
526.49 1.318 102
519.04 1.299 38
518.31 1.297 35
517.33 1.295 32
516.85 1.294 30
516.60 1.293 30
-
| 1H NMR |
89.56 MHz |
| C8 H18 O2
|
0.05 g : 0.5 ml CDCl3
|
| 1,8-octanediol
|
|
Assign. Shift(ppm)
A 3.613
B 2.79
C 1.56
D 1.34
|
Hz ppm Int.
327.94 3.662 209
325.56 3.636 170
321.81 3.594 518
315.56 3.524 291
308.13 3.441 33
307.25 3.431 30
250.19 2.794 403
152.06 1.698 36
144.50 1.614 134
143.56 1.603 132
143.19 1.599 133
138.19 1.543 240
138.06 1.542 240
131.69 1.471 239
118.94 1.329 1000
105.81 1.182 56
105.13 1.174 53
104.50 1.167 49
103.19 1.153 41