亞甲基二磷酸(1984-15-2)紅外圖譜(IR2)
InChI:InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)
InChIKey: MBKDYNNUVRNNRF-UHFFFAOYSA-N
Smiles:C(P(=O)(O)O)P(=O)(O)O
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Mass
MS-NW-7086
methylenediphosphonic acid
CH6O6P2 (Mass of molecular ion: 176)
Source Temperature: 250 °C
Sample Temperature: 280 °C
Direct, 75 eV
17.0 8.9
18.0 36.8
28.0 4.0
29.0 3.3
31.0 1.2
33.0 2.2
44.0 1.5
45.0 2.3
47.0 63.9
48.0 2.4
49.0 1.1
61.0 1.3
62.0 1.2
63.0 1.7
64.0 1.5
65.0 1.4
77.0 3.3
78.0 2.6
81.0 6.1
91.0 2.1
94.0 6.3
95.0 1.6
96.0 1.2
98.0 2.3
107.0 2.7
110.0 1.4
111.0 5.0
123.0 1.5
124.0 1.0
125.0 1.2
127.0 2.1
137.0 7.4
153.0 1.8
157.0 2.5
171.0 1.0
173.0 9.4
174.0 1.5
187.0 3.9
188.0 1.2
189.0 1.7
191.0 6.4
200.0 1.2
201.0 1.1
203.0 2.9
205.0 1.9
207.0 3.1
217.0 30.9
220.0 2.9
221.0 1.0
233.0 2.1
237.0 5.7
250.0 5.2
251.0 1.4
252.0 1.0
253.0 22.2
254.0 2.6
264.0 1.8
278.0 5.1
279.0 1.0
280.0 100.0
281.0 2.8
282.0 2.5
90 MHz in D2O
400 MHz in D2O
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| 1H NMR |
89.56 MHz |
| C H6 O6 P2
|
0.051 g : 0.5 ml D2O
|
| methylenediphosphonic acid
|
 |
Assign. Shift(ppm)
B 2.527
J(B,P-31)=20.8HZ
THE SOLVENT SIGNAL REMOVED.
|
Hz ppm Int.
247.25 2.761 494
244.06 2.726 29
226.44 2.529 1000
223.00 2.490 52
222.44 2.484 42
221.75 2.476 34
221.38 2.472 31
221.00 2.468 29
220.88 2.467 29
220.56 2.463 29
208.44 2.328 28
205.56 2.296 501
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| 1H NMR |
399.65 MHz |
| C H6 O6 P2
|
0.042 g : 0.5 ml D2O
|
| methylenediphosphonic acid
|
|
Assign. Shift(ppm)
A 2.525
|
Hz ppm Int.
1030.15 2.578 508
1009.28 2.526 1000
1004.64 2.514 24
988.40 2.474 510