123-99-9

壬二酸(123-99-9)质谱(MS)

产品名称:壬二酸

CAS:123-99-9

分子式:C9H16O4

分子量: 188.22

InChI:InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)

InChIKey: BDJRBEYXGGNYIS-UHFFFAOYSA-N

Smiles:C(O)(=O)CCCCCCCC(O)=O

Mass

MS-NW-0310          
azelaic acid
C9H16O4             (Mass of molecular ion:    188)

   Source Temperature: 170 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       2.5
      26.0       1.5
      27.0      20.0
      28.0       6.5
      29.0      19.3
      31.0       4.2
      39.0      18.0
      40.0       3.3
      41.0      52.8
      42.0       9.8
      43.0      21.7
      44.0       1.2
      45.0      16.7
      51.0       1.2
      53.0       5.9
      54.0       5.5
      55.0      71.6
      56.0       8.2
      57.0       5.4
      58.0       1.7
      59.0       8.0
      60.0      64.7
      61.0       3.2
      65.0       1.4
      66.0       1.0
      67.0      11.8
      68.0      14.3
      69.0      53.0
      70.0       5.7
      71.0       3.4
      73.0      32.6
      74.0       4.7
      77.0       1.3
      79.0       3.6
      80.0       5.2
      81.0      11.8
      82.0      13.1
      83.0      51.1
      84.0      64.0
      85.0       5.3
      86.0       1.5
      87.0      10.1
      91.0       1.2
      92.0       2.0
      93.0       3.9
      94.0       1.2
      95.0       4.5
      96.0      11.7
      97.0      16.9
      98.0      45.4
      99.0       4.8
     100.0       3.5
     101.0       6.4
     107.0       2.7
     108.0       1.2
     109.0       2.3
     110.0       8.2
     111.0      55.8
     112.0       7.8
     113.0       1.7
     114.0      11.5
     115.0       2.0
     116.0       1.1
     121.0       1.2
     123.0       3.1
     124.0      31.6
     125.0       5.1
     126.0       8.0
     127.0       2.6
     128.0       3.1
     129.0      12.3
     130.0       1.1
     134.0       2.0
     135.0       1.5
     137.0       3.7
     138.0       1.6
     139.0       2.1
     142.0       1.8
     144.0       1.1
     151.0       1.2
     152.0     100.0
     153.0      10.3
     154.0       1.0
     171.0       3.2

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₉ H₁₆ O₄	0.039 g : 0.5 ml DMSO-d₆
azelaic acid

    Assign.     Shift(ppm)

      A            11.91
      B             2.19
      C             1.49
      D          1.40 to 1.08

     Hz     ppm     Int.

   1066.32  11.907    492
    203.54   2.273    306
    202.86   2.266    303
    196.19   2.191    952
    189.44   2.116    595
    147.66   1.649     74
    147.49   1.647     74
    146.97   1.642     77
    146.03   1.631     75
    145.35   1.623     82
    139.79   1.561    227
    138.94   1.552    219
    137.57   1.537    210
    133.22   1.488    347
    130.22   1.454    273
    128.77   1.438    280
    127.92   1.429    284
    127.23   1.421    293
    126.81   1.416    293
    126.46   1.413    292
    124.50   1.391    268
    123.73   1.382    271
    112.96   1.262   1000

DMSO-d6