4-甲基壬烷(17301-94-9)核磁圖(1HNMR)
InChI:InChI=1S/C10H22/c1-4-6-7-9-10(3)8-5-2/h10H,4-9H2,1-3H3
InChIKey: IALRSQMWHFKJJA-UHFFFAOYSA-N
Smiles:CCCC(C)CCCCC
-
Mass
MS-IW-2662
4-methylnonane
C10H22 (Mass of molecular ion: 142)
Source Temperature: 220 °C
Sample Temperature: 160 °C
Reservoir, 75 eV
27.0 9.3
28.0 1.0
29.0 15.9
39.0 6.8
40.0 1.2
41.0 29.2
42.0 12.8
43.0 87.2
44.0 3.5
53.0 1.9
54.0 1.0
55.0 20.3
56.0 10.8
57.0 100.0
58.0 5.8
69.0 5.1
70.0 55.5
71.0 60.0
72.0 3.3
83.0 1.4
84.0 2.3
85.0 7.6
98.0 23.9
99.0 14.5
100.0 1.0
112.0 3.2
113.0 2.5
127.0 1.4
142.0 4.1
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C10 H22
|
0.05 ml : 0.5 ml CDCl3
|
| 4-methylnonane
|
 |
Assign. Shift(ppm)
A 1.39
B 1.35
C 1.32
D 1.32 to 1.24
E 1.24
F 1.22
G 1.10
J 1.07
K 0.885
L 0.877
M 0.842
90MHZ : HSP-04-006
|
Hz ppm Int.
570.31 1.428 30
568.73 1.424 31
563.96 1.412 48
561.40 1.405 57
557.98 1.397 75
556.88 1.394 69
556.40 1.393 69
554.08 1.387 84
552.73 1.384 76
551.39 1.380 92
550.05 1.377 76
548.58 1.373 80
546.51 1.368 80
545.78 1.366 78
543.82 1.361 87
541.14 1.355 95
538.33 1.348 110
536.38 1.343 105
533.94 1.337 104
531.86 1.331 151
531.25 1.330 154
529.54 1.326 139
524.54 1.313 208
523.93 1.311 214
521.85 1.306 244
518.43 1.298 313
516.48 1.293 291
515.26 1.290 345
512.21 1.282 279
509.52 1.275 343
506.84 1.269 504
502.93 1.259 370
500.37 1.253 318
498.66 1.248 272
496.58 1.243 296
491.33 1.230 237
487.67 1.221 131
487.06 1.219 133
484.01 1.212 81
481.81 1.206 72
479.49 1.200 37
476.81 1.194 35
448.73 1.123 44
447.75 1.121 47
445.19 1.114 64
443.73 1.111 48
440.55 1.103 84
438.11 1.097 139
435.18 1.089 115
432.74 1.083 110
430.54 1.078 109
427.37 1.070 116
425.17 1.064 85
423.10 1.059 59
422.36 1.057 58
419.80 1.051 49
418.09 1.047 38
416.75 1.043 34
415.28 1.040 35
360.60 0.903 493
357.67 0.895 444
353.88 0.886 829
350.59 0.878 773
348.27 0.872 235
346.56 0.868 490
343.38 0.860 415
339.72 0.851 1000
333.13 0.834 970
-
| 1H NMR |
89.56 MHz |
| C10 H22
|
0.04 ml : 0.5 ml CDCl3
|
| 4-methylnonane
|
|
Assign. Shift(ppm)
A 1.39
B *1 1.35
C *1 1.32
D *1 1.32 to 1.24
E *2 1.24
F *3 1.22
G *2 1.10
J *3 1.07
K 0.885
L 0.877
M 0.840
THE SHIFT VALUES WERE OBTAINED AT 400MHZ.
|
Hz ppm Int.
133.63 1.493 34
133.25 1.488 34
131.69 1.471 35
130.88 1.462 38
129.94 1.451 42
119.50 1.335 244
112.38 1.255 847
99.69 1.114 94
97.81 1.093 99
95.00 1.061 83
92.38 1.032 63
91.88 1.026 63
91.38 1.021 63
91.00 1.017 62
90.50 1.011 64
89.50 1.000 70
84.56 0.945 326
78.50 0.877 1000
72.44 0.809 563