1271-86-9

N,N-二甲氨基甲基二茂铁(1271-86-9)质谱(MS)

产品名称:N,N-二甲氨基甲基二茂铁

CAS:1271-86-9

分子式:C13H17FeN10*

分子量: 243.13

InChI:InChI=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|

¹HNMR

IR1

IR2

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

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