7072-00-6

10-METHYLANTHRACENE-9-CARBOXALDEHYDE(7072-00-6) MS

Product Name10-METHYLANTHRACENE-9-CARBOXALDEHYDE

CAS 7072-00-6

Molecular FormulaC16H12O

Molecular Weight220.27

InChIInChI=1S/C16H12O/c1-11-12-6-2-4-8-14(12)16(10-17)15-9-5-3-7-13(11)15/h2-10H,1H3

InChIKey KVWSVUPNZVIFBN-UHFFFAOYSA-N

SmilesC1=C2C(C(C)=C3C(=C2C=O)C=CC=C3)=CC=C1

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10-METHYLANTHRACENE-9-CARBOXALDEHYDE(7072-00-6) MS
Mass

MS-NW-6710          
10-methyl-9-anthracenecarbaldehyde
C16H12O             (Mass of molecular ion:    220)

   Source Temperature: 170 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      39.0       2.1
      50.0       1.4
      51.0       2.1
      62.0       1.6
      63.0       3.7
      69.5       2.1
      74.0       2.2
      75.0       2.4
      76.0       1.1
      81.0       1.3
      81.5       4.0
      82.0       3.2
      82.5       9.0
      83.0       2.3
      86.0       1.5
      87.0       2.4
      88.0       2.9
      88.5       1.1
      89.0       1.4
      93.5       3.2
      94.0       3.9
      94.5      11.6
      95.0       6.2
      95.5       3.9
      96.0       4.6
      98.0       1.3
     102.5       1.6
     109.0       2.2
     109.5       1.2
     110.0       4.4
     115.0       1.5
     139.0       2.3
     150.0       1.7
     151.0       1.6
     152.0       2.6
     163.0       4.7
     164.0       2.4
     165.0      13.4
     166.0       1.9
     176.0       5.5
     177.0       4.0
     187.0       4.8
     188.0       4.0
     189.0      32.0
     190.0      13.7
     191.0      47.4
     192.0      28.4
     193.0       4.4
     205.0      28.4
     206.0       5.0
     219.0      43.6
     220.0     100.0
     221.0      17.1
     222.0       1.6

90 MHz in CDCl3

10-METHYLANTHRACENE-9-CARBOXALDEHYDE(7072-00-6) MS

¹H NMR	89.56 MHz
C₁₆ H₁₂ O	0.039 g : 0.5 ml CDCl₃
10-methyl-9-anthracenecarbaldehyde

    Assign.     Shift(ppm)

      A            11.322
      B             8.845
      C             8.207
      D             7.56
      E             7.46
      F             2.983

     Hz     ppm     Int.

   1014.11  11.324    314
    798.05   8.911     83
    797.39   8.904     91
    795.56   8.883     97
    795.12   8.879     92
    790.94   8.832     57
    788.75   8.807     94
    787.79   8.797    112
    787.13   8.789    107
    741.06   8.275     97
    740.33   8.267     97
    739.31   8.255     98
    737.11   8.231     70
    733.23   8.188     97
    732.71   8.182    120
    730.81   8.161    136
    730.08   8.152    126
    686.79   7.669     39
    684.96   7.649     65
    680.27   7.596    168
    678.44   7.576    126
    676.17   7.550    181
    673.02   7.515    471
    669.87   7.480    159
    667.68   7.456    105
    665.99   7.437    126
    661.16   7.383     44
    659.47   7.364     32
    267.26   2.985   1000

in CDCl3