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|

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

¹H NMR	399.65 MHz
C₁₂ H₁₀ Fe O₄	0.040 g : 0.5 ml DMSO-d₆
1,1'-ferrocenedicarboxylic acid

    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

KBr disc

nujol mull

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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1,1'-二茂铁甲酸(1293-87-4)核磁图(1HNMR)

1,1'-二茂铁甲酸(1293-87-4)核磁图(¹HNMR)