四氫吡喃-2-甲醇(100-72-1)核磁圖(1HNMR)
InChI:InChI=1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2
InChIKey: ROTONRWJLXYJBD-UHFFFAOYSA-N
Smiles:C1(CO)OCCCC1
-
Mass
MS-NW-1261
tetrahydropyran-2-methanol
C6H12O2 (Mass of molecular ion: 116)
Source Temperature: 250 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 1.6
26.0 1.2
27.0 10.3
28.0 5.9
29.0 26.0
30.0 1.0
31.0 15.5
32.0 2.7
39.0 6.8
40.0 1.6
41.0 38.5
42.0 2.3
43.0 25.2
44.0 2.2
45.0 1.4
53.0 1.7
55.0 11.8
56.0 4.3
57.0 22.8
58.0 1.2
67.0 19.5
68.0 1.3
84.0 3.4
85.0 100.0
86.0 5.6
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C6 H12 O2
|
0.05 ml : 0.5 ml CDCl3
|
| tetrahydropyran-2-methanol
|
 |
Assign. Shift(ppm)
A 4.006
B *1 3.53
C *1 3.51
D 3.46
E 3.42
F 3.21
G 1.851
J 1.60 to 1.48
K 1.320
ASSIGNED BY H-H COSY.
J(B,C)=-11.5HZ
J(B,E)=3.8HZ
|
Hz ppm Int.
1610.47 4.030 118
1608.52 4.025 193
1606.81 4.021 247
1605.10 4.017 175
1599.24 4.002 140
1597.53 3.998 233
1595.46 3.993 236
1593.51 3.988 213
1593.14 3.987 213
1423.71 3.563 114
1419.92 3.553 151
1412.23 3.534 540
1408.20 3.524 1000
1401.61 3.508 793
1396.48 3.495 133
1394.41 3.490 202
1393.31 3.487 144
1391.48 3.482 296
1390.14 3.479 363
1383.18 3.461 337
1380.25 3.454 465
1377.81 3.448 184
1375.98 3.443 197
1374.02 3.439 164
1371.70 3.433 336
1368.90 3.426 283
1366.82 3.421 223
1365.72 3.418 199
1362.92 3.411 154
1360.47 3.405 184
1358.40 3.399 123
1356.57 3.395 120
1354.61 3.390 94
1283.69 3.213 202
749.51 1.876 135
747.44 1.871 149
745.36 1.866 202
742.68 1.859 154
740.11 1.852 172
737.92 1.847 148
737.43 1.846 149
735.47 1.841 151
733.76 1.837 151
732.18 1.833 132
731.08 1.830 105
641.36 1.605 89
640.63 1.603 98
637.82 1.596 119
637.08 1.595 110
636.23 1.592 104
635.13 1.590 71
633.54 1.586 106
631.23 1.580 65
630.00 1.577 96
629.15 1.575 102
627.93 1.572 188
626.59 1.568 136
625.85 1.566 146
623.66 1.561 230
621.70 1.556 164
620.00 1.552 234
616.58 1.543 366
615.11 1.540 437
614.62 1.538 435
613.40 1.535 535
611.82 1.531 660
610.47 1.528 640
609.25 1.525 656
608.64 1.523 668
607.06 1.519 439
604.98 1.514 238
603.52 1.511 200
601.44 1.505 268
598.88 1.499 469
598.14 1.497 444
596.68 1.494 389
595.09 1.490 382
592.16 1.482 115
591.19 1.480 154
586.43 1.468 90
582.52 1.458 109
578.74 1.449 61
547.00 1.369 83
544.80 1.364 75
542.97 1.359 80
541.50 1.355 51
540.28 1.352 53
538.09 1.347 54
535.77 1.341 111
533.20 1.335 237
529.54 1.326 160
526.25 1.317 51
521.73 1.306 226
518.43 1.298 116
517.58 1.296 111
515.99 1.292 62
510.62 1.278 57
508.42 1.273 58
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| 1H NMR |
89.56 MHz |
| C6 H12 O2
|
0.04 ml : 0.5 ml CDCl3
|
| tetrahydropyran-2-methanol
|
|
Assign. Shift(ppm)
A 4.01
B 3.55
C 3.50
D 3.46
E 3.42
F 2.77
G 1.86
J 1.64 to 1.45
N 1.32
THE SHIFT VALUES WERE OBTAINED AT 400 MHZ.
|
Hz ppm Int.
368.56 4.116 47
366.50 4.093 117
364.94 4.075 101
363.13 4.055 123
361.38 4.036 51
357.00 3.987 88
355.25 3.967 149
353.44 3.947 225
326.81 3.650 32
325.50 3.635 50
324.75 3.627 39
324.19 3.620 36
323.56 3.613 37
321.38 3.589 147
317.94 3.551 313
314.44 3.511 1000
309.13 3.452 220
308.19 3.442 225
306.38 3.421 176
305.00 3.406 236
303.69 3.391 233
299.50 3.345 113
298.63 3.335 108
296.63 3.313 111
243.63 2.721 576
238.31 2.661 39
237.94 2.657 35
174.25 1.946 44
172.31 1.924 55
170.44 1.904 90
169.06 1.888 112
168.19 1.878 101
167.81 1.874 102
166.19 1.856 131
164.50 1.837 127
162.75 1.818 85
162.00 1.809 80
161.00 1.798 100
159.56 1.782 86
158.13 1.766 69
157.06 1.754 59
156.63 1.749 59
155.94 1.742 63
154.88 1.730 90
152.38 1.702 118
149.38 1.668 114
149.06 1.665 114
147.19 1.644 118
146.63 1.638 118
145.69 1.627 135
144.19 1.610 180
142.94 1.597 251
140.31 1.567 431
138.25 1.544 457
136.44 1.524 373
135.06 1.509 486
134.63 1.504 486
131.94 1.474 633
124.69 1.393 189
121.19 1.354 101
119.50 1.335 95
118.56 1.324 93
118.25 1.321 93
116.38 1.300 67
115.38 1.289 60
113.81 1.271 50
113.50 1.268 46
112.81 1.260 47
111.06 1.241 50
109.69 1.225 40
109.31 1.221 37
108.38 1.211 41
108.00 1.206 41
106.75 1.192 34
106.25 1.187 34