541-35-5

丁酰胺(541-35-5)质谱(MS)

产品名称:丁酰胺

CAS:541-35-5

分子式:C4H9NO

分子量: 87.12

InChI:InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)

InChIKey: DNSISZSEWVHGLH-UHFFFAOYSA-N

Smiles:C(N)(=O)CCC

Mass

MS-NW-5048          
butyramide
C4H9NO              (Mass of molecular ion:     87)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       2.6
      16.0       1.1
      17.0       1.8
      18.0       8.5
      26.0       3.7
      27.0      26.6
      28.0       5.8
      29.0      26.1
      30.0       1.8
      37.0       2.0
      38.0       2.8
      39.0      11.6
      40.0       3.1
      41.0      53.4
      42.0       7.5
      43.0      32.2
      44.0      66.3
      45.0       3.2
      46.0       1.7
      52.0       1.4
      54.0       1.0
      55.0       7.0
      59.0     100.0
      60.0       3.0
      69.0       1.8
      70.0       1.0
      71.0       8.0
      72.0      19.2
      86.0       3.0
      87.0       2.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₉ N O	0.040 g : 0.5 ml DMSO-d₆
butyramide

    Assign.     Shift(ppm)

      A     *1      7.24
      B     *1      6.71
      C             2.018
      D             1.499
      E             0.856

     Hz     ppm     Int.

   2893.31   7.240     36
   2682.01   6.711     37
    813.84   2.037    255
    810.91   2.030     23
    806.64   2.019    441
    799.19   2.000    282
    617.68   1.546     44
    610.35   1.528    171
    602.91   1.509    287
    595.46   1.490    278
    588.13   1.472    164
    580.81   1.454     43
    349.73   0.876    524
    342.41   0.857   1000
    334.96   0.839    446

in DMSO-d6

in CDCl3