正丙醚(111-43-3)質(zhì)譜(MS)
InChI:InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3
InChIKey: POLCUAVZOMRGSN-UHFFFAOYSA-N
Smiles:O(CCC)CCC
-
Mass
MS-NW-0006
dipropyl ether
C6H14O (Mass of molecular ion: 102)
Source Temperature: 200 °C
Sample Temperature: 25 °C
Reservoir, 75 eV
15.0 2.3
18.0 2.8
19.0 1.6
26.0 2.3
27.0 17.5
28.0 4.2
29.0 9.2
30.0 1.0
31.0 68.1
32.0 1.4
33.0 1.1
39.0 6.8
40.0 1.3
41.0 24.3
42.0 11.5
43.0 100.0
44.0 4.2
45.0 48.3
46.0 1.1
55.0 5.8
56.0 1.3
57.0 5.1
59.0 21.4
60.0 6.1
73.0 21.4
74.0 1.3
87.0 3.2
102.0 8.9
90 MHz in CDCl3
parameter in benzene
-
| 1H NMR |
89.56 MHz |
| C6 H14 O
|
0.04 ml : 0.5 ml CDCl3
|
| dipropyl ether
|
 |
Assign. Shift(ppm)
A 3.365
B 1.59
C 0.93
|
Hz ppm Int.
308.31 3.443 425
301.69 3.369 889
295.00 3.294 508
153.13 1.710 157
148.31 1.656 72
146.81 1.640 209
146.13 1.632 232
140.25 1.566 163
139.13 1.554 316
132.31 1.478 206
90.06 1.006 269
89.31 0.998 512
88.69 0.991 349
82.44 0.921 1000
81.69 0.913 563
75.44 0.843 169
74.69 0.834 308
73.63 0.823 180
-
| 1H NMR |
300 MHz |
| C6 H14 O
|
90 vol% in benzene
|
| dipropyl ether
|
|
Parameter ppm Hz
D(A) 3.194
D(B) 1.449
D(C) 0.812
J(A,B) 6.45
J(A,C) 0.0
J(B,C) 7.43
SCHRUMPF,G. J.MAGN.RESON. 6, 243 (1972)
|
Hz ppm Int.
964.69 3.216 372
958.24 3.194 759
951.81 3.173 390
452.46 1.508 37
444.98 1.483 131
438.49 1.462 255
431.10 1.437 264
424.58 1.415 139
417.30 1.391 44
250.88 0.836 517
243.46 0.812 1000
236.05 0.787 432