Furil(492-94-4) MS

Product NameFuril

CAS 492-94-4

Molecular FormulaC10H6O4

Molecular Weight190.15

InChIInChI=1S/C10H6O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H

InChIKey SXPUVBFQXJHYNS-UHFFFAOYSA-N

SmilesC(C1=CC=CO1)(=O)C(C1=CC=CO1)=O

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Mass

MS-NW-2322          
2,2'-furil
C10H6O4             (Mass of molecular ion:    190)

   Source Temperature: 300 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       3.3
      37.0       1.4
      38.0       3.7
      39.0      16.4
      51.0       1.3
      67.0       2.4
      95.0     100.0
      96.0       5.5
     162.0       1.1
     190.0       7.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₆ O₄	0.038 g : 0.5 ml CDCl₃
2,2'-furil

    Assign.     Shift(ppm)

      A             7.793
      B             7.639
      C             6.646

     Hz     ppm     Int.

    699.25   7.808    792
    698.50   7.800    906
    697.56   7.789    864
    696.75   7.780    908
    695.50   7.766     57
    693.88   7.748     29
    686.44   7.665    886
    685.69   7.657    817
    684.44   7.643     58
    682.75   7.624   1000
    682.00   7.616    894
    597.81   6.675    922
    596.13   6.657    898
    594.13   6.634    852
    592.44   6.616    850

in CDCl3