BIANTHRONYL(434-84-4) IR1

Molecular FormulaC28H18O2

Molecular Weight386.44

InChIInChI=1S/C28H18O2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16,25-26H

InChIKey ZQXZUOJNJXNUEO-UHFFFAOYSA-N

SmilesC1=C2C(C(=O)C3=C(C2C2C4=CC=CC=C4C(=O)C4=C2C=CC=C4)C=CC=C3)=CC=C1

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IR1

IR2

Mass

MS-NW-2142          
9,9'-bianthracene-10,10'(9H,9'H)-dione
C28H18O2            (Mass of molecular ion:    386)

   Source Temperature: 220 °C
   Sample Temperature: 250 °C
   Direct, 75 eV

      18.0       2.4
      28.0       2.2
      39.0       2.4
      50.0       1.9
      51.0       1.5
      62.0       2.0
      63.0       4.3
      69.5       4.4
      74.0       1.9
      75.0       1.6
      81.0       1.1
      81.5       2.9
      82.0       4.1
      82.5       7.7
      83.0       1.7
      86.0       1.6
      87.0       2.2
      88.0       1.1
      89.0       2.1
      96.5       1.3
     113.0       1.3
     115.0       3.6
     137.0       1.2
     138.0       1.2
     139.0       5.9
     162.0       2.1
     163.0      14.5
     164.0      10.4
     165.0      69.2
     166.0      11.2
     193.0     100.0
     194.0      58.1
     195.0       7.8
     355.0       1.3
     384.0       4.6
     385.0       1.4

KBr disc

nujol mull

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