1287-13-4

二茂钌(1287-13-4)质谱(MS)

产品名称:二茂钌

CAS:1287-13-4

分子式:C10H10Ru10*

分子量: 231.26

InChI:InChI=1S/2C5H5.Ru/c2*1-2-4-5-3-1;/h2*1-5H;

InChIKey: BKEJVRMLCVMJLG-UHFFFAOYSA-N

Smiles:[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ru] |^1:0,1,2,3,4,5,6,7,8,9|

Mass

MS-NW-9958          
bis(eta-cyclopentadienyl)ruthenium(II)
C10H10Ru            (Mass of molecular ion:    232)

   Source Temperature: 130 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       1.0
     101.0       1.2
     102.0       2.3
     104.0       1.4
     111.0       1.1
     112.0       1.3
     113.0       2.0
     114.0       3.2
     114.5       2.2
     115.0       2.7
     115.5       3.1
     116.0       6.4
     117.0       3.4
     137.0       1.5
     138.0       2.6
     139.0       3.7
     140.0       2.8
     141.0       3.9
     143.0       1.5
     150.0       1.0
     151.0       1.4
     152.0       1.4
     153.0       1.4
     161.0       3.0
     163.0       1.5
     164.0       7.0
     165.0       7.3
     166.0       9.5
     167.0      16.9
     168.0       1.0
     169.0       9.7
     175.0       1.2
     176.0       1.5
     177.0       2.1
     178.0       2.4
     179.0       1.3
     180.0       1.5
     200.0       1.1
     201.0       2.2
     202.0       3.1
     203.0       4.5
     204.0       5.7
     205.0       3.3
     206.0       4.6
     207.0       1.0
     208.0       1.3
     226.0      17.1
     227.0       3.0
     228.0       7.8
     229.0      39.3
     230.0      43.3
     231.0      56.3
     232.0     100.0
     233.0      10.9
     234.0      56.4
     235.0       6.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₀ Ru	0.040 g : 0.5 ml CDCl₃
bis(eta-cyclopentadienyl)ruthenium(II)

    Assign.     Shift(ppm)

      A             4.552

     Hz     ppm     Int.

   1823.49   4.563     37
   1819.58   4.553   1000
   1814.94   4.542     41

in CDCl3

KBr disc

nujol mull

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