12093-10-6

Ferrocenecarboxaldehyde(12093-10-6) IR2

Product NameFerrocenecarboxaldehyde

CAS 12093-10-6

Molecular FormulaC11H10FeO10*

Molecular Weight214.04

InChIInChI=1S/C6H5O.C5H5.Fe/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-5H;1-5H;

InChIKey UQTCQJVPLIVCAX-UHFFFAOYSA-N

Smiles[C]1(C=O)[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe] |^1:0,3,4,5,6,7,8,9,10,11|

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Ferrocenecarboxaldehyde(12093-10-6) IR2
Mass

MS-NW-6618          
ferrocenecarbaldehyde
C11H10FeO           (Mass of molecular ion:    214)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      38.0       1.0
      39.0       5.6
      54.0       2.2
      56.0      32.5
      57.0       3.1
      63.0       1.5
      65.0       4.6
      81.0       5.9
      82.0       1.1
      93.0       1.7
      94.0       6.8
      95.0       6.6
     102.0       1.0
     103.0       1.5
     107.0       2.0
     119.0       4.4
     120.0      10.0
     121.0      52.3
     122.0       5.4
     127.0       1.3
     128.0       5.7
     129.0       6.1
     130.0       2.3
     133.0       1.0
     134.0       1.6
     148.0       1.1
     158.0       1.0
     160.0       1.4
     171.0       1.1
     184.0      10.6
     185.0       3.2
     186.0      63.1
     187.0       8.6
     212.0       6.4
     213.0       1.6
     214.0     100.0
     215.0      14.5
     216.0       1.7

90 MHz in CDCl3

Ferrocenecarboxaldehyde(12093-10-6) IR2

¹H NMR	89.56 MHz
C₁₁ H₁₀ Fe O	0.040 g : 0.5 ml CDCl₃
ferrocenecarbaldehyde

    Assign.     Shift(ppm)

      A             9.96
      B             4.789
      C             4.599
      D             4.271

     Hz     ppm     Int.

    891.65   9.956    107
    431.10   4.814     76
    429.27   4.794    136
    427.29   4.771    121
    413.60   4.619    105
    411.69   4.597    132
    409.86   4.577     78
    382.47   4.271   1000

in CDCl3