2039-76-1

3-ACETYLPHENANTHRENE(2039-76-1) Raman

Product Name3-ACETYLPHENANTHRENE

CAS 2039-76-1

Molecular FormulaC16H12O

Molecular Weight220.27

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

InChIKey JKVNPRNAHRHQDD-UHFFFAOYSA-N

SmilesC(=O)(C1C=C2C(=CC=1)C=CC1C2=CC=CC=1)C

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3-ACETYLPHENANTHRENE(2039-76-1) Raman
Mass

MS-NW-6198          
3-acetylphenanthrene
C16H12O             (Mass of molecular ion:    220)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       2.8
      43.0       4.4
      51.0       1.1
      62.0       1.0
      63.0       1.5
      74.0       1.9
      75.0       4.3
      76.0       1.0
      82.5       1.1
      87.0       2.4
      87.5       1.5
      88.0      19.0
      88.5       7.8
      89.0       1.5
      94.5       1.9
      95.0       1.0
      96.0       2.7
      98.0       1.2
      99.0       1.1
     102.5       5.7
     103.0       1.1
     110.0       1.5
     126.0       1.1
     149.0       1.2
     150.0       5.8
     151.0      11.7
     152.0       2.1
     174.0       2.8
     175.0       4.3
     176.0      29.1
     177.0      50.4
     178.0       8.4
     189.0       2.7
     190.0       1.0
     191.0       1.5
     205.0     100.0
     206.0      17.0
     207.0       1.6
     220.0      80.9
     221.0      14.3
     222.0       1.4

400 MHz in CDCl3

3-ACETYLPHENANTHRENE(2039-76-1) Raman

¹H NMR	399.65 MHz
C₁₆ H₁₂ O	0.041 g : 0.5 ml CDCl₃
3-acetylphenanthrene

    Assign.     Shift(ppm)

      A             9.230
      B             8.704
      C             8.071
      D             7.86
      E             7.855
      F             7.782
      G             7.680
      J             7.68
      K             7.609
      L             2.739
     
     ASSIGNEG BY H-H COSY.

     Hz     ppm     Int.

   3689.45   9.232    113
   3688.48   9.230    116
   3483.64   8.717     69
   3483.15   8.716     71
   3475.46   8.697     71
   3474.85   8.695     73
   3230.96   8.085     84
   3229.25   8.081     87
   3222.66   8.064    103
   3220.95   8.060    105
   3147.09   7.875     66
   3146.36   7.873     67
   3142.94   7.865    139
   3140.01   7.857     85
   3138.55   7.854     84
   3134.64   7.844    114
   3115.48   7.796     82
   3106.69   7.774    123
   3073.12   7.690    154
   3067.50   7.676     67
   3066.16   7.673     87
   3064.82   7.669    115
   3059.33   7.656     62
   3057.86   7.652     58
   3047.85   7.627     68
   3046.51   7.623     74
   3040.77   7.609     52
   3039.92   7.607     77
   3038.82   7.604     72
   3032.96   7.590     38
   3031.74   7.586     36
   1094.73   2.740   1000

in CDCl3