1,1'-Diacetylferrocene(1273-94-5) IR1

Product Name1,1'-Diacetylferrocene

CAS 1273-94-5

Molecular FormulaC14H14FeO210*

Molecular Weight270.1

InChIInChI=1S/2C7H7O.Fe/c2*1-6(8)7-4-2-3-5-7;/h2*2-5H,1H3;

InChIKey JNBIZDIDVCJECQ-UHFFFAOYSA-N

Smiles[C]1([CH][CH][CH][CH]1)C(=O)C.[C]1([CH][CH][CH][CH]1)C(=O)C.[Fe] |^1:0,1,2,3,4,8,9,10,11,12|

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IR1

IR2

Mass

MS-NW-2602          
1,1'-diacetylferrocene
C14H14FeO2          (Mass of molecular ion:    270)

   Source Temperature: 300 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.0
      17.0       1.0
      18.0       5.0
      28.0       1.0
      39.0       2.6
      43.0       8.8
      44.0       1.1
      51.0       1.0
      54.0       1.5
      56.0      22.7
      57.0       2.6
      63.0       2.1
      64.0       1.3
      65.0       1.7
      69.0       1.6
      71.0      22.7
      77.0       2.4
      79.0       2.6
      81.0       4.5
      89.0       2.2
      91.0       1.1
      92.0       1.4
      93.0       1.4
      94.0       7.0
      95.0       2.0
     102.0       1.5
     115.0       1.3
     118.0       1.1
     119.0       2.2
     120.0      11.8
     121.0      16.0
     122.0       1.3
     127.0       1.3
     128.0       6.2
     129.0       4.5
     132.0       1.0
     133.0       1.4
     134.0       3.3
     135.0       1.9
     141.0       1.6
     142.0       1.0
     143.0       3.3
     145.0       1.4
     148.0       6.2
     153.0       1.3
     157.0       1.2
     158.0       1.7
     161.0       1.8
     162.0       3.1
     163.0      23.2
     164.0       2.3
     165.0       1.0
     180.0       3.0
     183.0       1.3
     184.0       6.2
     185.0       5.0
     186.0       2.0
     197.0       4.2
     198.0       1.7
     199.0      48.0
     200.0       7.1
     213.0       1.1
     225.0       1.5
     226.0       2.4
     227.0      17.6
     228.0       8.9
     229.0       1.2
     252.0       1.1
     255.0       9.3
     256.0       1.6
     268.0       6.8
     269.0       1.3
     270.0     100.0
     271.0      17.5
     272.0       2.3

KBr disc