甲膦酸三乙酯(1474-78-8)質(zhì)譜(MS)
InChI:InChI=1S/C7H15O5P/c1-4-10-7(8)13(9,11-5-2)12-6-3/h4-6H2,1-3H3
InChIKey: NOJFJZZMRDSOLM-UHFFFAOYSA-N
Smiles:P(=O)(OCC)(OCC)C(OCC)=O
-
Mass
MS-NW-7589
ethyl (diethoxyphosphoryl)formate
C7H15O5P (Mass of molecular ion: 210)
Source Temperature: 270 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
15.0 2.2
19.0 1.5
26.0 2.8
27.0 21.8
28.0 7.7
29.0 71.6
30.0 1.7
31.0 8.9
43.0 6.5
44.0 1.8
45.0 16.1
47.0 5.9
59.0 3.2
65.0 25.8
66.0 1.3
73.0 2.4
81.0 72.8
82.0 45.9
83.0 20.9
91.0 20.8
92.0 3.0
93.0 11.3
94.0 2.8
99.0 14.0
109.0 100.0
110.0 14.2
111.0 38.2
112.0 1.1
122.0 2.1
125.0 5.6
126.0 1.6
127.0 15.6
137.0 46.3
138.0 15.5
139.0 10.3
153.0 1.8
154.0 1.4
155.0 8.2
166.0 1.8
183.0 1.1
210.0 2.3
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C7 H15 O5 P
|
0.05 ml : 0.5 ml CDCl3
|
| ethyl (diethoxyphosphoryl)formate
|
 |
Assign. Shift(ppm)
A 4.323
B 4.267
C 1.394
D 1.358
400MHZ : HSP-43-319
J(P-31,A)=1.2HZ
J(A,D)=7.2HZ
J(P-31,D)=1.5HZ
J(B,C)=J(P-31,B)=7HZ
J(P-31,C)=0.7HZ
|
Hz ppm Int.
398.44 4.449 167
397.38 4.438 79
391.31 4.370 558
390.06 4.356 324
384.19 4.290 609
383.00 4.277 568
380.06 4.244 62
379.56 4.239 61
377.13 4.211 251
375.94 4.198 453
372.69 4.162 34
369.00 4.121 135
132.06 1.475 525
131.50 1.469 480
128.94 1.440 281
127.44 1.423 301
125.06 1.397 1000
124.44 1.390 930
121.88 1.361 492
120.38 1.345 476
117.94 1.317 486
117.38 1.311 440
114.69 1.281 223
113.25 1.265 202
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| 1H NMR |
399.65 MHz |
| C7 H15 O5 P
|
0.05 ml : 0.5 ml CDCl3
|
| ethyl (diethoxyphosphoryl)formate
|
|
Assign. Shift(ppm)
A 4.334
B 4.30
C 1.404
D 1.370
|
Hz ppm Int.
1744.14 4.365 96
1742.92 4.362 97
1736.94 4.347 287
1735.72 4.344 274
1733.64 4.338 170
1729.86 4.329 290
1728.64 4.326 289
1726.56 4.321 448
1722.66 4.311 119
1721.44 4.308 125
1719.48 4.303 488
1718.38 4.300 410
1712.40 4.285 219
1711.30 4.282 407
1708.13 4.275 32
1704.22 4.265 162
568.73 1.424 627
567.99 1.422 565
565.43 1.415 48
561.65 1.406 1000
560.91 1.404 876
554.57 1.388 646
553.83 1.386 637
552.61 1.383 329
547.00 1.369 506
545.53 1.366 493
539.79 1.351 268
538.33 1.348 274