二丙硫醚(111-47-7)紅外圖譜(IR1)
InChI:InChI=1S/C6H14S/c1-3-5-7-6-4-2/h3-6H2,1-2H3
InChIKey: ZERULLAPCVRMCO-UHFFFAOYSA-N
Smiles:S(CCC)CCC
-
Mass
MS-NW-3313
dipropyl sulfide
C6H14S (Mass of molecular ion: 118)
Source Temperature: 280 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 1.9
26.0 1.5
27.0 24.8
28.0 1.5
29.0 5.6
38.0 1.3
39.0 16.0
40.0 2.1
41.0 51.6
42.0 65.1
43.0 100.0
44.0 3.4
45.0 11.3
46.0 8.9
47.0 47.3
48.0 3.7
49.0 2.8
55.0 8.3
56.0 3.0
57.0 7.1
58.0 2.1
59.0 3.0
60.0 2.1
61.0 34.9
62.0 1.4
63.0 1.7
71.0 1.0
73.0 1.4
74.0 4.0
75.0 13.4
76.0 50.5
77.0 12.2
78.0 2.7
89.0 92.5
90.0 5.6
91.0 4.4
103.0 3.7
117.0 1.0
118.0 62.8
119.0 5.2
120.0 3.1
132.0 1.9
90 MHz in CDCl3
parameter in CCl4
-
| 1H NMR |
89.56 MHz |
| C6 H14 S
|
0.04 ml : 0.5 ml CDCl3
|
| dipropyl sulfide
|
 |
Assign. Shift(ppm)
A 2.48
B 1.60
C 0.99
|
Hz ppm Int.
229.69 2.565 177
223.00 2.490 359
215.50 2.407 277
162.56 1.816 38
162.06 1.810 37
155.69 1.739 77
154.69 1.728 203
148.63 1.660 158
147.75 1.650 206
146.94 1.641 252
142.81 1.595 57
140.94 1.574 214
139.81 1.562 320
135.19 1.510 66
132.81 1.483 222
126.69 1.415 56
126.00 1.407 65
95.88 1.071 305
95.06 1.062 587
94.44 1.055 417
91.50 1.022 41
88.31 0.987 1000
87.69 0.980 735
81.63 0.912 190
80.69 0.901 367
79.56 0.889 201
-
| 1H NMR |
300 MHz |
| C6 H14 S
|
in CCl4
|
| dipropyl sulfide
|
|
Parameter ppm Hz
D(A) 2.43
D(B) 1.60
D(C) 1.01
J(A,B) 7.0
J(A,C) 0.0
J(B,C) 7.3
CAVANAUGH,J.R. & DAILEY,B.P. J.CHEM.PHYS. 34, 1094 (1961)
|
Hz ppm Int.
736.09 2.454 344
729.10 2.430 725
722.12 2.407 386
498.06 1.660 43
490.75 1.636 173
483.66 1.612 345
476.47 1.588 347
469.35 1.564 194
462.22 1.541 48
310.13 1.034 517
302.86 1.010 1000
295.58 0.985 427