仲丁基醚(6863-58-7)Raman光譜
InChI:InChI=1S/C8H18O/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKey: HHBZZTKMMLDNDN-UHFFFAOYSA-N
Smiles:O(C(CC)C)C(CC)C
-
Mass
MS-NW-2120
di-sec-butyl ether
C8H18O (Mass of molecular ion: 130)
Source Temperature: 250 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
15.0 1.2
27.0 8.0
28.0 2.0
29.0 23.8
31.0 2.9
39.0 5.2
41.0 28.8
42.0 1.7
43.0 4.7
44.0 1.3
45.0 100.0
46.0 2.2
53.0 1.0
55.0 8.3
56.0 6.8
57.0 84.5
58.0 3.8
59.0 29.5
60.0 1.0
73.0 5.4
83.0 9.7
97.0 1.1
101.0 39.1
102.0 2.6
112.0 1.0
115.0 1.0
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C8 H18 O
|
0.05 ml : 0.5 ml CDCl3
|
| di-sec-butyl ether
|
 |
Assign. Shift(ppm)
A *1 3.36
B *1 3.34
C *2 1.51
D *2 1.41
E *3 1.113
F *3 1.094
G 0.90
OPTICAL ISOMERS
|
Hz ppm Int.
1352.66 3.385 89
1346.56 3.370 177
1345.09 3.366 85
1340.45 3.355 189
1338.99 3.351 131
1334.23 3.339 111
1332.64 3.335 122
1328.00 3.323 34
1326.54 3.320 74
623.05 1.559 57
616.82 1.544 82
615.60 1.541 62
612.92 1.534 53
610.60 1.528 52
609.38 1.525 134
608.15 1.522 42
606.81 1.519 63
606.20 1.517 70
605.47 1.516 65
603.15 1.510 103
601.93 1.507 118
599.24 1.500 125
595.58 1.491 95
594.48 1.488 53
592.53 1.483 121
591.80 1.481 114
588.26 1.472 41
585.08 1.464 109
584.47 1.463 83
581.42 1.455 37
578.74 1.449 48
576.90 1.444 100
575.44 1.440 48
573.85 1.436 94
571.29 1.430 103
569.46 1.425 111
567.87 1.421 109
566.41 1.418 101
565.06 1.414 44
563.84 1.411 116
562.13 1.407 68
560.55 1.403 125
559.20 1.400 55
557.62 1.396 55
556.52 1.393 60
555.79 1.391 62
554.20 1.387 63
553.22 1.385 73
550.17 1.377 49
546.88 1.369 57
455.32 1.140 41
448.00 1.121 957
445.56 1.115 61
441.89 1.106 986
440.31 1.102 915
434.20 1.087 898
431.88 1.081 61
379.15 0.949 46
374.51 0.938 34
373.29 0.935 46
370.73 0.928 115
368.41 0.922 640
363.77 0.911 112
361.21 0.904 1000
360.60 0.903 916
353.52 0.885 530
-
| 1H NMR |
89.56 MHz |
| C8 H18 O
|
0.04 ml : 0.5 ml CDCl3
|
| di-sec-butyl ether
|
|
Assign. Shift(ppm)
A 3.35
B 1.48
C 1.10
D 0.91
OPTICALLY ACTIVE COMPOUND.
|
Hz ppm Int.
310.25 3.465 61
308.63 3.447 59
304.19 3.397 126
302.56 3.379 118
298.13 3.329 134
296.44 3.310 122
292.13 3.262 71
290.38 3.243 65
146.63 1.638 46
145.69 1.627 51
143.25 1.600 51
142.13 1.587 34
141.69 1.583 35
139.94 1.563 83
138.38 1.546 80
137.13 1.532 92
135.81 1.517 160
133.88 1.495 104
132.13 1.476 152
130.50 1.458 143
129.81 1.450 175
128.81 1.439 183
126.00 1.407 91
124.25 1.388 155
122.88 1.373 198
119.00 1.329 51
116.81 1.305 100
115.25 1.287 35
109.19 1.220 39
104.25 1.165 43
102.56 1.146 1000
100.88 1.127 980
98.50 1.100 67
96.44 1.077 945
94.81 1.059 919
92.56 1.034 47
91.25 1.019 36
90.31 1.009 32
88.25 0.986 306
87.38 0.976 530
86.63 0.968 350
83.56 0.934 45
80.50 0.899 857
73.69 0.823 154
72.88 0.814 260
71.50 0.799 156