2-氨基-5-二乙基氨基戊烷(140-80-7)Raman光譜

產(chǎn)品名稱:2-氨基-5-二乙基氨基戊烷

CAS:140-80-7

分子式:C9H22N2

分子量: 158.28

InChI:InChI=1S/C9H22N2/c1-4-11(5-2)8-6-7-9(3)10/h9H,4-8,10H2,1-3H3

InChIKey: CAPCBAYULRXQAN-UHFFFAOYSA-N

Smiles:C(N(CC)CC)CCC(N)C

Mass

MS-NW-1481          
N(1),N(1)-diethyl-1,4-pentanediamine
C9H22N2             (Mass of molecular ion:    158)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       3.4
      27.0       2.9
      28.0       5.1
      29.0       5.0
      30.0      14.7
      39.0       1.0
      41.0       5.3
      42.0       7.1
      43.0       2.4
      44.0      10.8
      55.0       1.3
      56.0       5.2
      57.0       3.4
      58.0      16.9
      69.0       3.5
      70.0       4.1
      71.0       2.5
      72.0       7.7
      73.0       5.5
      74.0       1.2
      84.0      11.9
      85.0       1.3
      86.0     100.0
      87.0       6.0
      98.0       1.8
      99.0       1.2
     101.0       1.9
     112.0       3.9
     126.0       1.1
     129.0       1.5
     158.0       4.7

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₂₂ N₂	0.05 ml : 0.5 ml CDCl₃
N(1),N(1)-diethyl-1,4-pentanediamine

    Assign.     Shift(ppm)

      A             2.895
      B             2.523
      C             2.408
      D             2.06
      E     *1      1.50
      F     *1      1.46
      G             1.31
      J             1.069
      K             1.020
     
     J(A,J)=6.2 HZ.

     Hz     ppm     Int.

   1166.87   2.920     41
   1160.52   2.904     81
   1154.17   2.888     83
   1147.83   2.873     45
   1019.41   2.551    166
   1012.21   2.533    496
   1005.00   2.515    498
    997.92   2.497    181
    970.70   2.429     94
    969.73   2.427    103
    963.87   2.412    106
    962.65   2.409    181
    961.18   2.406    121
    954.59   2.389    120
    823.61   2.061     34
    607.79   1.521     35
    606.81   1.519     37
    599.61   1.501     60
    592.16   1.482     65
    585.94   1.467     53
    584.11   1.462     51
    578.49   1.448     41
    577.76   1.446     42
    570.31   1.428     30
    535.03   1.339     63
    533.69   1.336     66
    528.93   1.324     90
    526.49   1.318    112
    524.17   1.312     63
    523.07   1.309     60
    519.78   1.301     99
    517.33   1.295     73
    513.67   1.286     42
    510.50   1.278     39
    430.42   1.077    570
    424.19   1.062    558
    414.67   1.038    551
    407.59   1.020   1000
    400.39   1.002    497
    394.90   0.989     39

¹H NMR	89.56 MHz
C₉ H₂₂ N₂	0.04 ml : 0.5 ml CDCl₃
N(1),N(1)-diethyl-1,4-pentanediamine

    Assign.     Shift(ppm)

      A             2.887
      B             2.51
      C             2.45
      D             1.70
      E          1.63 to 1.13
      F             1.071
      G             1.024

     Hz     ppm     Int.

    262.38   2.930     34
    256.19   2.861     34
    237.06   2.647    104
    236.56   2.642     99
    229.56   2.564    419
    222.38   2.484    497
    220.19   2.459     42
    217.44   2.428     75
    215.63   2.408    204
    211.13   2.358     30
    211.00   2.356     30
    208.94   2.333     98
    151.94   1.697    195
    147.56   1.648     37
    147.44   1.647     37
    138.94   1.552     30
    137.13   1.532     30
    134.13   1.498     47
    131.75   1.472     33
    129.56   1.447     39
    128.56   1.436     48
    127.13   1.420     67
    125.56   1.402     77
    124.25   1.388     74
    122.75   1.371    121
    121.56   1.358     59
    120.19   1.343     99
    118.00   1.318     52
    116.00   1.296     30
    114.13   1.275     32
    113.31   1.266     38
     98.63   1.102    816
     92.38   1.032    609
     91.06   1.017   1000
     83.81   0.936    376

in CDCl3