2306-33-4

鄰苯二甲酸單乙酯(2306-33-4)核磁圖(¹HNMR)

產(chǎn)品名稱:鄰苯二甲酸單乙酯

CAS:2306-33-4

分子式:C10H10O4

分子量: 194.18

InChI:InChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)

InChIKey: YWWHKOHZGJFMIE-UHFFFAOYSA-N

Smiles:C1(C(OCC)=O)=CC=CC=C1C(O)=O

Mass

MS-NW-5813          
ethyl hydrogen phthalate
C10H10O4            (Mass of molecular ion:    194)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      14.0       1.3
      15.0       3.3
      18.0       2.9
      19.0       1.6
      26.0       3.7
      27.0      12.1
      28.0       3.2
      29.0       7.9
      30.0       2.3
      31.0      43.9
      36.0       1.1
      37.0       8.3
      37.5       2.6
      38.0      11.2
      39.0       6.1
      42.0       1.5
      43.0       4.9
      44.0       3.9
      45.0      22.2
      46.0       8.6
      49.0       4.6
      50.0      39.5
      51.0       5.5
      52.0       4.4
      53.0       2.1
      61.0       1.8
      62.0       1.1
      63.0       1.5
      64.0       1.2
      65.0      12.6
      66.0       1.5
      73.0       3.8
      74.0      13.5
      75.0       9.8
      76.0      77.2
      77.0       9.8
      78.0       1.0
      91.0       1.0
      92.0       1.0
      93.0       8.0
     104.0     100.0
     105.0      27.6
     106.0       4.5
     121.0       6.8
     122.0      11.9
     123.0       1.1
     132.0       1.5
     135.0       1.3
     148.0      17.1
     149.0      78.0
     150.0      14.8
     151.0       1.8
     176.0       4.9
     177.0       5.5
     178.0       1.4
     194.0       2.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₀ O₄	0.043 g : 0.5 ml CDCl₃
ethyl hydrogen phthalate

    Assign.     Shift(ppm)

      A            12.1
      B             7.89
      C          7.65 to 7.57
      D             4.393
      E             1.369

     Hz     ppm     Int.

   1085.29  12.119    354
    712.82   7.960     66
    712.05   7.951     92
    710.08   7.929     74
    707.52   7.900    137
    706.58   7.890     81
    703.85   7.859    112
    703.16   7.852    128
    700.00   7.816     39
    695.98   7.772     30
    695.21   7.763     32
    692.31   7.731     47
    691.11   7.717     90
    688.46   7.688    132
    686.33   7.664    245
    685.56   7.655    168
    684.02   7.638     92
    683.51   7.632     83
    681.97   7.615    274
    681.12   7.606    279
    679.32   7.586    179
    677.10   7.561    124
    676.33   7.552    102
    674.88   7.536    135
    672.49   7.509     99
    671.97   7.504    111
    667.96   7.459     32
    404.52   4.517    110
    397.34   4.437    412
    390.16   4.357    440
    383.07   4.278    127
    129.63   1.448    456
    122.53   1.369   1000
    115.36   1.289    407

in CDCl3