N,N-Dimethylaminomethylferrocene (1271-86-9) MS

Product NameN,N-Dimethylaminomethylferrocene

CAS 1271-86-9

Molecular FormulaC13H17FeN10*

Molecular Weight243.13

InChIInChI=1S/C8H12N.C5H5.Fe/c1-9(2)7-8-5-3-4-6-8;1-2-4-5-3-1;/h3-6H,7H2,1-2H3;1-5H;

InChIKey JJJSTEANRWLZBH-UHFFFAOYSA-N

Smiles[C]1(CN(C)C)[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe] |^1:0,5,6,7,8,9,10,11,12,13|

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¹HNMR

IR1

IR2

N,N-Dimethylaminomethylferrocene (1271-86-9) MS
Mass

MS-NW-2186          
(dimethylaminomethyl)ferrocene
C13H17FeN           (Mass of molecular ion:    243)

   Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       2.1
      17.0       1.0
      18.0       4.8
      28.0       1.3
      30.0       2.2
      39.0       4.0
      41.0       1.0
      42.0       9.1
      43.0       2.1
      44.0       7.5
      45.0       2.4
      51.0       1.8
      52.0       1.7
      54.0       1.6
      56.0      25.5
      57.0       2.6
      58.0      11.3
      65.0       2.0
      66.0       1.6
      72.0       1.1
      77.0       3.8
      78.0       5.5
      79.0       4.1
      81.0       3.3
      83.0       1.9
      94.0       2.2
      95.0       3.6
      97.0       2.7
      99.0       3.8
     100.0       1.0
     106.0       2.0
     119.0       3.6
     120.0       2.4
     121.0      50.1
     122.0       7.2
     128.0       1.0
     129.0       1.5
     134.0       8.7
     135.0       6.1
     148.0       1.6
     160.0       1.3
     161.0       2.3
     162.0      16.7
     163.0      14.6
     164.0       2.9
     165.0       1.3
     175.0       5.0
     176.0       1.1
     177.0       5.8
     178.0       4.0
     184.0       1.8
     186.0      23.0
     187.0       3.4
     197.0       6.6
     198.0       2.1
     199.0     100.0
     200.0      30.5
     201.0       3.6
     214.0       1.7
     227.0       2.7
     228.0       1.8
     240.0       1.4
     241.0       6.5
     242.0      17.2
     243.0      98.4
     244.0      16.6
     245.0       1.4

90 MHz in CDCl3

N,N-Dimethylaminomethylferrocene (1271-86-9) MS

¹H NMR	89.56 MHz
C₁₃ H₁₇ Fe N	0.04 ml : 0.5 ml CDCl₃
(dimethylaminomethyl)ferrocene

    Assign.     Shift(ppm)

      A             4.12
      B             3.276
      C             2.162

     Hz     ppm     Int.

    374.25   4.179     30
    372.63   4.161     75
    372.50   4.160     75
    371.06   4.144    120
    368.69   4.117    139
    367.31   4.102   1000
    362.94   4.053     30
    293.38   3.276    157
    193.63   2.163    621

CCl4 solution