戊酰胺(626-97-1)質譜(MS)

產品名稱:戊酰胺

CAS:626-97-1

分子式:C5H11NO

分子量: 101.15

InChI:InChI=1S/C5H11NO/c1-2-3-4-5(6)7/h2-4H2,1H3,(H2,6,7)

InChIKey: IPWFJLQDVFKJDU-UHFFFAOYSA-N

Smiles:C(N)(=O)CCCC

Mass

MS-NW-1271          
valeramide
C5H11NO             (Mass of molecular ion:    101)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.0
      18.0       2.8
      26.0       1.5
      27.0      10.8
      28.0       4.5
      29.0      19.0
      30.0       1.2
      39.0       5.6
      41.0      15.5
      42.0       3.9
      43.0       9.2
      44.0      38.9
      45.0       1.8
      54.0       1.1
      55.0       5.1
      56.0       1.4
      57.0      11.0
      59.0     100.0
      60.0       2.9
      72.0      18.5
      73.0       2.7
      85.0       2.3
      86.0       3.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₁ N O	0.045 g : 0.5 ml CDCl₃
valeramide

    Assign.     Shift(ppm)

      A     *1      6.4
      B     *1      5.9
      C             2.22
      D             1.60
      E             1.37
      F             0.93

     Hz     ppm     Int.

    207.25   2.315    179
    206.06   2.301    190
    199.38   2.227    433
    192.13   2.146    395
    152.56   1.704    174
    146.56   1.637    164
    145.75   1.628    204
    144.38   1.613    180
    142.25   1.589    160
    139.13   1.554    192
    137.88   1.540    259
    136.69   1.527    175
    135.88   1.518    152
    135.00   1.508    147
    131.94   1.474    276
    130.50   1.458    189
    126.56   1.414    162
    125.94   1.407    196
    125.31   1.400    175
    124.19   1.387    182
    119.88   1.339    151
    117.81   1.316    200
    111.50   1.245    161
    111.19   1.242    164
     89.81   1.003    334
     88.75   0.991    515
     82.50   0.922   1000
     76.44   0.854    168
     75.13   0.839    223

in CDCl3