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1293-87-4

1,1'-二茂铁甲酸(1293-87-4)核磁图(1HNMR)

产品名称:1,1'-二茂铁甲酸

CAS:1293-87-4

分子式:C12H10FeO410*

分子量: 274.05

InChI:InChI=1S/2C6H5O2.Fe/c2*7-6(8)5-3-1-2-4-5;/h2*1-4H,(H,7,8);

InChIKey: ISVVAJYTLASNEJ-UHFFFAOYSA-N

Smiles:[C]1([CH][CH][CH][CH]1)C(=O)O.[C]1([CH][CH][CH][CH]1)C(=O)O.[Fe] |^1:0,1,2,3,4,8,9,10,11,12|

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    Mass

    MS-NW-3812          
    1,1'-ferrocenedicarboxylic acid
    C12H10FeO4          (Mass of molecular ion:    274)
    

       Source Temperature: 230 °C
       Sample Temperature: 200 °C
       Direct, 75 eV
    

          17.0       1.0
          18.0       5.1
          27.0       1.7
          28.0       2.7
          31.0       1.0
          38.0       2.8
          39.0      10.6
          44.0       2.9
          51.0       1.0
          53.0       1.0
          54.0       2.0
          56.0      29.8
          57.0       1.8
          62.0       1.5
          63.0      10.3
          64.0      21.5
          65.0       5.2
          66.0       2.0
          71.0       1.0
          73.0      13.5
          77.0       1.1
          81.0       4.7
          92.0      68.1
          93.0       5.8
          94.0       3.2
         102.0       1.0
         118.0       1.5
         119.0       3.5
         120.0       4.4
         121.0       1.8
         127.0       1.8
         128.0      12.2
         129.0       2.8
         137.0       5.6
         138.0       5.7
         155.0       1.3
         157.0       1.5
         158.0       1.3
         164.0       2.0
         165.0       8.8
         166.0       1.0
         182.0       2.5
         183.0       2.2
         184.0       6.6
         185.0       2.0
         186.0       1.2
         210.0       5.5
         211.0       1.1
         212.0      81.4
         213.0      12.0
         214.0       1.3
         228.0       1.3
         230.0       2.0
         256.0       3.5
         257.0       1.3
         272.0       7.5
         273.0       1.1
         274.0     100.0
         275.0      15.7
         276.0       2.2
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C12 H10 Fe O4 0.040 g : 0.5 ml DMSO-d6
    1,1'-ferrocenedicarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12. B 4.703 C 4.445

         Hz     ppm     Int.
    

       1879.78   4.704   1000
       1776.78   4.446    968
    

in DMSO-d6

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KBr disc

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nujol mull

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TI(III) COMPLEX, IN CH3(C6H5)/C6H6, 77K, X-BAND

TI(III) COMPLEX, IN CH3(C6H5)/C6H6, 77K, S-BAND

TI(III) COMPLEX, IN CH3(C6H5)/C6H6, 77K, Q-BAND

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