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12093-10-6

二茂铁甲醛(12093-10-6)核磁图(13CNMR)

产品名称:二茂铁甲醛

CAS:12093-10-6

分子式:C11H10FeO10*

分子量: 214.04

InChI:InChI=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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    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

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

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KBr disc

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nujol mull

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