628-94-4

已二酰二胺(628-94-4)核磁圖(¹³CNMR)

產品名稱:已二酰二胺

CAS:628-94-4

分子式:C6H12N2O2

分子量: 144.17

InChI:InChI=1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)

InChIKey: GVNWZKBFMFUVNX-UHFFFAOYSA-N

Smiles:C(N)(=O)CCCCC(N)=O

Mass

MS-NW-1688          
adipamide
C6H12N2O2           (Mass of molecular ion:    144)

   Source Temperature: 190 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      15.0       1.5
      16.0       1.3
      17.0       1.9
      18.0       6.4
      26.0       2.1
      27.0      13.2
      28.0       8.2
      29.0      13.1
      30.0       2.6
      39.0       9.5
      40.0       1.7
      41.0      25.0
      42.0       7.2
      43.0      35.3
      44.0     100.0
      45.0       5.9
      51.0       1.3
      52.0       1.2
      53.0       3.3
      54.0       7.9
      55.0      19.2
      56.0      10.5
      57.0      16.6
      58.0       1.6
      59.0      62.3
      60.0       3.2
      67.0       1.2
      68.0       5.2
      69.0       4.2
      71.0       1.2
      72.0      61.2
      73.0      22.6
      74.0       1.0
      81.0       1.1
      82.0       3.9
      83.0       3.8
      84.0       1.5
      85.0       9.8
      86.0      90.8
      87.0       4.7
      98.0       2.4
      99.0      44.4
     100.0       9.1
     101.0       2.3
     110.0       6.4
     111.0       4.2
     127.0      18.2
     128.0       3.5
     144.0       1.8

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₆ H₁₂ N₂ O₂	0.039 g : 0.5 ml DMSO-d₆
adipamide

    Assign.     Shift(ppm)

      A             7.21
      B             6.67
      C             2.03
      D             1.47

     Hz     ppm     Int.

    645.13   7.204    240
    597.00   6.666    248
    188.44   2.105    315
    188.00   2.100    316
    187.56   2.095    315
    186.88   2.087    319
    186.19   2.079    313
    184.44   2.060    396
    182.13   2.034   1000
    175.63   1.962    479
    172.25   1.924    163
    171.19   1.912    111
    139.31   1.556    151
    137.06   1.531    437
    133.50   1.491    534
    130.13   1.453    981
    126.81   1.416    454
    126.31   1.411    457
    123.88   1.384    251
    123.50   1.379    254
    122.94   1.373    260

DMSO-d6