16499-88-0

3-丁氧基丙胺(16499-88-0)质谱(MS)

产品名称:3-丁氧基丙胺

CAS:16499-88-0

分子式:C7H17NO

分子量: 131.22

InChI:InChI=1S/C7H17NO/c1-2-3-6-9-7-4-5-8/h2-8H2,1H3

InChIKey: LPUBRQWGZPPVBS-UHFFFAOYSA-N

Smiles:C(N)CCOCCCC

Mass

MS-NW-8589          
3-butoxypropylamine
C7H17NO             (Mass of molecular ion:    131)

   Source Temperature: 250 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      18.0       3.0
      27.0       6.9
      28.0      10.6
      29.0      14.8
      30.0     100.0
      31.0       5.9
      39.0       4.3
      41.0      19.6
      42.0       4.7
      43.0       5.8
      44.0       8.2
      45.0       3.4
      55.0       3.2
      56.0      36.8
      57.0      52.7
      58.0      27.1
      59.0       5.9
      60.0       1.3
      74.0      16.7
      75.0       1.5
      85.0       1.2
     114.0       6.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₇ N O	0.05 ml : 0.5 ml CDCl₃
3-butoxypropylamine

    Assign.     Shift(ppm)

      A             3.48
      B             3.40
      C             2.79
      D             1.706
      E          1.55 to 1.25
      F             0.92

     Hz     ppm     Int.

    329.81   3.683     31
    325.44   3.634     32
    323.69   3.615     40
    322.75   3.604     46
    318.31   3.555    436
    312.06   3.485   1000
    309.63   3.458    199
    305.88   3.416    743
    305.00   3.406    867
    301.69   3.369    101
    301.56   3.368    101
    298.75   3.336    377
    295.06   3.295     34
    294.38   3.287     39
    293.00   3.272     30
    250.94   2.802    135
    170.63   1.906     33
    169.75   1.896     32
    165.50   1.848    112
    163.69   1.828     61
    163.38   1.825     61
    159.19   1.778    329
    152.81   1.707    449
    149.56   1.670    144
    146.38   1.635    371
    143.63   1.604    185
    139.75   1.561    318
    138.69   1.549    317
    136.31   1.522    330
    133.38   1.490    438
    132.19   1.476    380
    131.19   1.465    361
    129.31   1.444    349
    127.88   1.428    311
    126.88   1.417    299
    125.88   1.406    300
    124.44   1.390    261
    122.25   1.366    167
    120.69   1.348    234
    118.44   1.323    174
    117.44   1.312    223
    115.81   1.294    131
    114.44   1.278    139
    111.31   1.243    163
    109.56   1.224    102
    107.13   1.197     61
    105.44   1.178     88
    104.50   1.167     91
    101.75   1.137     44
    101.06   1.129     46
     99.88   1.116     50
     98.38   1.099     38
     97.56   1.090     39
     97.25   1.086     40
     95.94   1.072     41
     94.94   1.061     45
     94.44   1.055     44
     88.63   0.990    439
     85.69   0.957    169
     82.13   0.918    898
     80.63   0.901    266
     79.56   0.889    248
     76.00   0.849    165
     74.69   0.834    181
     72.69   0.812    101
     70.63   0.789     31

in CDCl3