12260-67-2

环戊烯基二茂铁(12260-67-2)核磁图(¹³CNMR)

产品名称:环戊烯基二茂铁

CAS:12260-67-2

分子式:C15H7Fe

分子量: 243.07

InChI:InChI=1S/C10H11.C5H5.Fe/c1-2-6-9(5-1)10-7-3-4-8-10;1-2-4-5-3-1;/h1-2,5-7H,3-4,8H2;1-5H;

InChIKey: DSZWLZDKKWLXLH-UHFFFAOYSA-N

Smiles:C1(=CCCC1)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe] |^1:5,6,7,8,9,10,11,12,13,14|

Mass

MS-IW-4173          
(1-cyclopentenyl)ferrocene
C15H16Fe            (Mass of molecular ion:    252)

   Source Temperature: 120 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      56.0       7.4
      81.0       1.2
     103.0       1.0
     115.0       1.7
     121.0      11.0
     122.0       1.3
     126.0       1.3
     127.0       1.1
     128.0       5.6
     129.0       5.1
     130.0       1.4
     134.0       1.3
     158.0       1.2
     184.0      12.3
     185.0       3.1
     186.0       8.5
     187.0       1.2
     248.0       1.2
     249.0       2.1
     250.0      20.0
     251.0      10.6
     252.0     100.0
     253.0      19.0
     254.0       2.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₁₆ Fe	0.037 g : 0.5 ml CDCl₃
(1-cyclopentenyl)ferrocene

    Assign.     Shift(ppm)

      A             5.734
      B             4.324
      C             4.169
      D             4.075
      E             2.581
      F             2.355
      G             1.969

     Hz     ppm     Int.

   2294.19   5.741     36
   2293.58   5.739     39
   2291.63   5.735     67
   2289.67   5.730     38
   2289.18   5.728     36
   1730.10   4.330    116
   1728.39   4.325    165
   1726.44   4.320    129
   1668.09   4.174    148
   1666.14   4.169    169
   1664.31   4.165    130
   1628.78   4.076   1000
   1038.45   2.599     30
   1033.08   2.585     44
   1031.01   2.580     46
   1025.39   2.566     34
   1023.32   2.561     32
    943.36   2.361     41
    942.02   2.358     34
    941.04   2.355     41
    935.67   2.342     37
    933.23   2.336     35
    793.46   1.986     34
    792.36   1.983     59
    784.91   1.964     64
    777.22   1.945     47

in CDCl3