磷酸乙酸三甲酯(5927-18-4)红外图谱(IR1)
InChI:InChI=1S/C5H11O5P/c1-8-5(6)4-11(7,9-2)10-3/h4H2,1-3H3
InChIKey: SIGOIUCRXKUEIG-UHFFFAOYSA-N
Smiles:C(OC)(=O)CP(OC)(OC)=O
-
Mass
MS-NW-8957
trimethyl phosphonoacetate
C5H11O5P (Mass of molecular ion: 182)
Source Temperature: 260 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
15.0 4.7
28.0 1.0
29.0 2.3
31.0 1.9
42.0 12.0
43.0 5.3
45.0 5.2
47.0 7.3
55.0 1.1
59.0 1.2
62.0 3.4
63.0 4.2
74.0 12.4
77.0 2.1
79.0 20.2
80.0 1.3
92.0 8.7
93.0 11.6
94.0 6.2
95.0 2.4
96.0 2.1
105.0 1.1
108.0 1.1
109.0 99.4
110.0 11.0
111.0 1.4
119.0 12.6
120.0 4.0
122.0 11.4
123.0 1.1
124.0 38.5
125.0 1.4
126.0 1.2
127.0 1.3
139.0 3.4
140.0 3.2
141.0 7.0
150.0 16.2
151.0 100.0
152.0 9.4
153.0 1.2
167.0 1.5
182.0 7.0
400 MHz in CDCl3
parameter in CDCl3
-
| 1H NMR |
399.65 MHz |
| C5 H11 O5 P
|
0.05 ml : 0.5 ml CDCl3
|
| trimethyl phosphonoacetate
|
 |
Assign. Shift(ppm)
A 3.822
B 3.760
C 3.018
|
Hz ppm Int.
1533.20 3.837 972
1521.97 3.809 1000
1518.07 3.799 27
1506.96 3.771 23
1502.81 3.761 744
1217.16 3.046 368
1195.56 2.992 372
-
| 1H NMR |
300 MHz |
| C5 H11 O5 P
|
0.04 ml : 0.5 ml CDCl3
|
| trimethyl phosphonoacetate
|
|
Parameter ppm Hz
D(A) 3.807
J(A,P-31) 11.19
D(B) 3.756
D(C) 2.996
J(B,C) 0.0
J(B,P-31) 0.56
J(C,P-31) 21.56
|
Hz ppm Int.
1147.70 3.826 999
1136.52 3.788 1000
1127.02 3.757 664
1126.59 3.755 664
909.58 3.032 333
888.03 2.960 333