5950-69-6

还原茚三酮二水合物(5950-69-6)质谱(MS)

产品名称:还原茚三酮二水合物

CAS:5950-69-6

分子式:C18H14O8

分子量: 358.3

InChI:InChI=1S/C18H14O8/c19-13-9-5-1-3-7-11(9)17(23,24)15(13,21)16(22)14(20)10-6-2-4-8-12(10)18(16,25)26/h1-8,21-26H

InChIKey: QHVADKNWNMILPQ-UHFFFAOYSA-N

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

IR1

IR2

Mass

MS-IW-3905          
2,2',3,3,3',3'-hexahydroxy-2,2'-biindan-1,1'-dione
C18H10O6 2H2O       (Mass of molecular ion:    322)

   Source Temperature: 150 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      17.0       1.9
      18.0       9.0
      26.0       1.2
      27.0       1.9
      28.0       5.9
      29.0       3.8
      30.0       1.6
      36.0       1.2
      37.0      10.9
      37.5       3.9
      38.0      15.4
      39.0       5.1
      43.0       1.5
      49.0       6.2
      50.0      54.3
      51.0      21.9
      52.0       9.3
      53.0       3.6
      60.0       1.0
      61.0       3.6
      62.0       4.3
      63.0       3.2
      66.0       2.1
      73.0       4.5
      74.0      18.0
      75.0      12.7
      76.0      97.0
      77.0      59.7
      78.0       9.4
      85.0       1.2
      86.0       1.6
      87.0       1.4
      88.0       3.4
      89.0       2.8
     104.0     100.0
     105.0      96.4
     106.0      14.4
     107.0       1.1
     132.0      33.5
     133.0      16.2
     134.0      18.4
     135.0       1.6
     160.0       9.8
     161.0       1.3
     162.0      52.2
     163.0       5.3

KBr disc