1,4-环氧环己烷(279-49-2)核磁图(13CNMR)
InChI:InChI=1S/C6H10O/c1-2-6-4-3-5(1)7-6/h5-6H,1-4H2
InChIKey: YPWFNLSXQIGJCK-UHFFFAOYSA-N
Smiles:C12OC(CC1)CC2
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Mass
MS-NW-3430
7-oxabicyclo(2.2.1)heptane
C6H10O (Mass of molecular ion: 98)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
14.0 1.0
15.0 5.2
18.0 2.2
26.0 5.2
27.0 28.3
28.0 6.9
29.0 11.6
31.0 2.1
37.0 2.2
38.0 5.0
39.0 45.7
40.0 6.9
41.0 55.3
42.0 38.6
43.0 13.4
44.0 13.4
50.0 3.8
51.0 5.2
52.0 2.4
53.0 9.5
54.0 100.0
55.0 39.0
56.0 7.0
57.0 15.0
58.0 1.0
63.0 1.1
65.0 2.7
67.0 7.1
68.0 4.7
69.0 28.7
70.0 17.0
71.0 1.6
77.0 5.3
78.0 1.6
79.0 16.1
80.0 23.0
81.0 2.3
82.0 1.4
83.0 22.5
84.0 1.3
97.0 4.4
98.0 30.3
99.0 2.1
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C6 H10 O
|
0.04 ml : 0.5 ml CDCl3
|
| 7-oxabicyclo(2.2.1)heptane
|
 |
Assign. Shift(ppm)
A 4.565
B 1.689
C 1.45
|
Hz ppm Int.
1829.96 4.579 284
1827.64 4.574 401
1826.66 4.571 439
1824.46 4.566 620
1822.14 4.560 412
1821.29 4.558 382
1818.97 4.552 263
699.83 1.752 33
698.61 1.749 31
697.27 1.745 35
696.29 1.743 36
687.38 1.720 105
685.18 1.715 136
683.11 1.710 227
680.30 1.703 450
678.10 1.697 587
674.68 1.689 516
672.00 1.682 527
670.90 1.679 493
669.31 1.675 529
666.87 1.669 262
665.16 1.665 121
662.72 1.659 80
661.50 1.656 59
659.67 1.651 40
658.81 1.649 39
656.25 1.643 30
652.59 1.633 31
650.39 1.628 31
649.29 1.625 40
647.34 1.620 35
602.05 1.507 51
600.95 1.504 48
598.02 1.497 38
594.97 1.489 47
594.60 1.488 47
588.26 1.472 141
586.30 1.468 237
585.21 1.465 224
580.57 1.453 1000
573.73 1.436 787
568.36 1.423 122
567.02 1.419 120
564.94 1.414 70
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| 1H NMR |
89.56 MHz |
| C6 H10 O
|
0.04 ml : 0.5 ml CDCl3
|
| 7-oxabicyclo(2.2.1)heptane
|
|
Assign. Shift(ppm)
A 4.560
B 1.88 to 1.25
|
Hz ppm Int.
416.56 4.652 31
415.31 4.638 38
413.63 4.619 279
411.38 4.594 378
410.56 4.585 437
408.44 4.561 599
406.13 4.535 463
403.38 4.505 199
400.50 4.472 40
400.13 4.468 39
399.25 4.458 33
398.69 4.452 30
397.94 4.444 31
164.06 1.832 71
163.44 1.825 74
161.56 1.804 78
158.56 1.771 214
157.25 1.756 292
155.38 1.735 454
152.13 1.699 281
151.19 1.689 312
147.56 1.648 638
146.69 1.638 576
144.63 1.615 596
143.81 1.606 584
136.19 1.521 684
135.25 1.511 543
131.81 1.472 1000
125.13 1.398 668
120.38 1.345 123
118.44 1.323 91
117.06 1.308 97
113.50 1.268 39
112.63 1.258 35