523-24-0

邻苯二甲酸铵(523-24-0)质谱(MS)

产品名称:邻苯二甲酸铵

CAS:523-24-0

分子式:C8H12N2O4

分子量: 200.19

InChI:InChI=1S/C8H6O4.2H3N/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);2*1H3

InChIKey: CHCFOMQHQIQBLZ-UHFFFAOYSA-N

Smiles:C1(C([O-])=O)C=CC=CC=1C([O-])=O.[NH4+].[NH4+]

Mass

MS-NW-9207          
diammonium phthalate
C8H12N2O4           (Mass of molecular ion:    200)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      16.0      32.0
      17.0      52.4
      18.0      18.4
      27.0       2.4
      28.0       6.9
      37.0       9.0
      37.5       1.6
      38.0      16.0
      39.0      20.4
      40.0       1.1
      44.0       3.5
      45.0       4.9
      47.0       3.5
      49.0       4.4
      50.0      45.8
      51.0      17.7
      52.0      11.3
      53.0       5.3
      61.0       2.1
      62.0       1.6
      63.0       4.0
      64.0       3.9
      65.0      33.5
      66.0       5.3
      73.0       4.3
      74.0      17.4
      75.0      12.4
      76.0      68.8
      77.0      40.0
      78.0       4.7
      92.0       4.7
      93.0      24.1
      94.0       4.6
     104.0      65.0
     105.0      96.8
     106.0       7.4
     121.0      14.4
     122.0     100.0
     123.0       8.0
     148.0      25.8
     149.0      27.4
     150.0       2.5
     166.0      14.4
     167.0       2.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₁₂ N₂ O₄	0.040 g : 0.5 ml DMSO-d₆
diammonium phthalate

    Assign.     Shift(ppm)

      A             8.195
      B             7.535

     Hz     ppm     Int.

   3284.15   8.218     80
   3283.39   8.216    100
   3280.03   8.208    906
   3276.52   8.199    811
   3274.08   8.193    778
   3270.72   8.184    953
   3267.21   8.176     92
   3266.60   8.174     82
   3020.02   7.557     95
   3019.26   7.555    113
   3015.90   7.547   1000
   3012.54   7.538    817
   3010.10   7.532    829
   3006.59   7.524    940
   3003.23   7.515     88
   3002.47   7.513     75

in DMSO-d6