47230-38-6

联苯-4,4-草酸二乙酯(47230-38-6)质谱(MS)

产品名称:联苯-4,4-草酸二乙酯

CAS:47230-38-6

分子式:C18H18O4

分子量: 298.33

InChI:InChI=1S/C18H18O4/c1-3-21-17(19)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(20)22-4-2/h5-12H,3-4H2,1-2H3

InChIKey: SYTZNHBXNLYWAK-UHFFFAOYSA-N

Smiles:C1(C2=CC=C(C(OCC)=O)C=C2)=CC=C(C(OCC)=O)C=C1

Mass

MS-NW-2362          
diethyl 4,4'-biphenyldicarboxylate
C18H18O4            (Mass of molecular ion:    298)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      15.0       1.1
      18.0       3.0
      26.0       1.8
      27.0       9.0
      28.0       5.0
      29.0      33.7
      39.0       1.3
      45.0       3.4
      50.0       2.6
      51.0       2.9
      62.0       1.0
      63.0       5.0
      74.0       2.4
      75.0       4.2
      75.5       1.3
      76.0      13.7
      76.5       1.6
      77.0       2.8
      87.0       1.5
      90.0       5.6
      99.0       1.0
     101.0       1.5
     102.0       1.8
     104.0       6.7
     104.5       1.1
     105.0       2.3
     113.0       1.1
     115.0       1.7
     125.0       1.5
     126.0       4.5
     127.0       2.1
     139.0       1.6
     141.0       2.6
     149.0       1.1
     150.0       6.4
     151.0      17.6
     152.0      57.5
     153.0      25.5
     154.0       2.9
     165.0       4.0
     166.0       3.6
     179.0       3.9
     180.0       8.6
     181.0       7.8
     182.0       1.2
     196.0       1.5
     197.0       1.8
     198.0       1.0
     209.0       3.4
     225.0      37.0
     226.0       9.4
     227.0       1.3
     242.0      10.1
     243.0       1.5
     253.0     100.0
     254.0      20.6
     255.0       2.9
     270.0      11.6
     271.0       2.1
     283.0       1.0
     297.0       1.1
     298.0      55.2
     299.0      11.0
     300.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₈ H₁₈ O₄	0.045 g : 0.5 ml CDCl₃
diethyl 4,4'-biphenyldicarboxylate

    Assign.     Shift(ppm)

      A             8.123
      B             7.678
      C             4.405
      D             1.418

     Hz     ppm     Int.

    734.50   8.202     38
    732.63   8.181    316
    732.06   8.174    204
    730.69   8.159    105
    726.00   8.107    117
    723.94   8.084    472
    722.25   8.065     81
    692.94   7.738     70
    691.25   7.719    461
    689.19   7.696    125
    684.56   7.644     96
    683.13   7.628    200
    682.56   7.622    315
    680.81   7.602     45
    405.44   4.528    105
    398.31   4.448    384
    391.19   4.368    402
    384.19   4.290    122
    133.94   1.496    422
    126.88   1.417   1000
    119.69   1.337    377

in CDCl3