二丙基二硫(629-19-6)核磁圖(13CNMR)
InChI:InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3
InChIKey: ALVPFGSHPUPROW-UHFFFAOYSA-N
Smiles:S(CCC)SCCC
-
Mass
MS-NW-1258
dipropyl disulfide
C6H14S2 (Mass of molecular ion: 150)
Source Temperature: 250 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
27.0 13.3
28.0 1.6
29.0 2.3
39.0 5.9
41.0 22.6
42.0 1.9
43.0 100.0
44.0 3.4
45.0 4.4
46.0 2.2
47.0 3.5
66.0 7.4
73.0 3.4
74.0 4.0
75.0 1.4
79.0 2.3
108.0 23.9
109.0 1.2
110.0 2.0
150.0 33.7
151.0 2.8
152.0 3.1
90 MHz in CDCl3
parameter in CCl4
-
| 1H NMR |
89.56 MHz |
| C6 H14 S2
|
0.04 ml : 0.5 ml CDCl3
|
| dipropyl disulfide
|
 |
Assign. Shift(ppm)
A 2.66
B 1.70
C 1.00
|
Hz ppm Int.
246.50 2.753 291
245.88 2.746 270
239.38 2.673 628
238.19 2.660 283
232.13 2.592 431
171.75 1.918 39
171.38 1.914 37
164.81 1.841 83
163.88 1.830 186
157.69 1.761 162
156.94 1.753 209
156.25 1.745 237
150.19 1.677 220
149.06 1.665 295
144.19 1.610 64
142.19 1.588 192
135.75 1.516 52
135.19 1.510 49
95.94 1.072 561
92.00 1.028 30
89.06 0.995 1000
82.19 0.918 204
81.44 0.910 337
80.50 0.899 185
-
| 1H NMR |
300 MHz |
| C6 H14 S2
|
in CCl4
|
| dipropyl disulfide
|
|
Parameter ppm Hz
D(A) 2.63
D(B) 1.71
D(C) 1.03
J(A,B) 7.2
J(A,C) 0.0
J(B,C) 7.5
CAVANAUGH,J.R. & DAILEY,B.P. J.CHEM.PHYS. 34, 1094 (1961)
|
Hz ppm Int.
796.28 2.654 338
789.09 2.630 712
781.91 2.606 376
531.55 1.772 43
524.06 1.747 173
516.75 1.722 344
509.38 1.698 346
502.05 1.673 192
494.70 1.649 47
316.34 1.054 511
308.88 1.030 1000
301.39 1.005 431