3-(二乙氨基)丙酸盐酸盐(15674-67-6)红外图谱(IR1)
分子式:C7H16ClNO2
分子量: 181.66
InChI:InChI=1S/C7H15NO2.ClH/c1-3-8(4-2)6-5-7(9)10;/h3-6H2,1-2H3,(H,9,10);1H
InChIKey: QQVHFNAGPZTCBE-UHFFFAOYSA-N
Smiles:N(CC)(CC)CCC(=O)O.Cl
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Mass
MS-NW-7048
3-(diethylamino)propionic acid hydrochloride
C7H15NO2 HCl (Mass of molecular ion: 145)
Source Temperature: 220 °C
Sample Temperature: 120 °C
Direct, 75 eV
15.0 1.9
18.0 1.5
26.0 1.8
27.0 11.2
28.0 11.1
29.0 11.6
30.0 15.7
35.0 3.4
36.0 18.6
37.0 1.1
38.0 6.3
41.0 2.8
42.0 26.8
43.0 2.4
44.0 6.2
45.0 3.6
54.0 1.7
55.0 3.1
56.0 14.6
57.0 3.9
58.0 38.4
59.0 1.6
60.0 1.0
70.0 2.8
71.0 1.3
72.0 2.8
73.0 3.7
84.0 6.9
85.0 1.0
86.0 100.0
87.0 5.9
88.0 23.8
89.0 1.3
102.0 3.5
130.0 37.6
131.0 3.0
144.0 2.6
145.0 16.5
146.0 1.6
400 MHz in DMSO-d6
90 MHz in D2O
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| 1H NMR |
399.65 MHz |
| C7 H15 N O2
|
0.038 g : 0.5 ml DMSO-d6
|
| 3-(diethylamino)propionic acid hydrochloride
|
 |
Assign. Shift(ppm)
A 3.217
B 3.085
C 2.826
D 1.218
|
Hz ppm Int.
1293.89 3.238 116
1290.59 3.230 38
1286.38 3.219 170
1281.07 3.206 42
1278.32 3.199 136
1243.88 3.113 125
1236.56 3.095 394
1229.41 3.077 397
1222.09 3.058 127
1137.28 2.846 146
1134.35 2.839 44
1129.04 2.826 173
1125.01 2.815 38
1121.71 2.807 118
494.00 1.237 480
486.67 1.218 1000
479.35 1.200 433
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| 1H NMR |
89.56 MHz |
| C7 H15 N O2
|
0.045 g : 0.5 ml D2O
|
| 3-(diethylamino)propionic acid hydrochloride
|
|
Assign. Shift(ppm)
B 3.42
C 3.26
D 2.871
E 1.306
THE SOLVENT SIGNAL REMOVED.
|
Hz ppm Int.
315.38 3.522 78
314.69 3.514 75
307.88 3.438 214
301.75 3.370 206
295.00 3.294 403
287.75 3.213 435
280.44 3.132 161
263.44 2.942 161
256.69 2.867 244
249.88 2.791 87
249.13 2.782 81
124.00 1.385 508
116.75 1.304 1000
109.44 1.222 426