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15674-67-6

3-(二乙氨基)丙酸盐酸盐(15674-67-6)Raman光谱

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
    ChemicalStructure
        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
    ChemicalStructure
        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
    

in D2O

in DMSO-d6

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KBr disc

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nujol mull

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