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Back ChemicalBook Home>CAS DataBase List>527-69-5More Spectrum> 2-Furoyl chloride(527-69-5) MS

2-Furoyl chloride(527-69-5) MS

Product Name2-Furoyl chloride

CAS527-69-5

Molecular FormulaC5H3ClO2

Molecular Weight130.53

InChIInChI=1S/C5H3ClO2/c6-5(7)4-2-1-3-8-4/h1-3H

InChIKey OFTKFKYVSBNYEC-UHFFFAOYSA-N

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


  • Mass

    MS-NW-4738          
    2-furoyl chloride
    C5H3ClO2            (Mass of molecular ion:    130)
    

       Source Temperature: 220 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          26.0       1.2
          28.0       3.1
          29.0       3.4
          33.5       1.4
          35.0       1.0
          36.0       2.0
          37.0       8.8
          38.0      14.4
          39.0      40.7
          40.0       1.4
          41.0       2.1
          47.5       1.2
          51.0       2.2
          53.0       1.9
          66.0       1.6
          67.0       6.7
          73.0       1.6
          95.0     100.0
          96.0       5.6
         102.0       3.6
         104.0       1.1
         130.0      16.0
         132.0       5.2
    

parameter neat

parameter in CDCl3


  • 1H NMR 300 MHz
    C5 H3 Cl O2 neat
    2-furoyl chloride
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.88 D(B) 6.70 D(C) 7.52 J(A,B) 1.70 J(A,C) 0.79 J(B,C) 3.79 ABRAHAM,R.J. & BERNSTEIN,H.J. CAN.J.CHEM. 39, 905 (1961)

         Hz     ppm     Int.
    

       2365.22   7.884    907
       2364.47   7.882   1000
       2363.55   7.878    999
       2362.79   7.876    924
       2258.28   7.528    867
       2257.55   7.525    865
       2254.49   7.515    900
       2253.76   7.513    885
       2012.72   6.709    787
       2011.04   6.703    799
       2008.93   6.696    782
       2007.24   6.691    757
    


  • 1H NMR 300 MHz
    C5 H3 Cl O2 0.04 ml : 0.5 ml CDCl3
    2-furoyl chloride
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.766 D(B) 7.503 D(C) 6.651 J(A,B) 0.87 J(A,C) 1.75 J(B,C) 3.69

         Hz     ppm     Int.
    

       2331.09   7.770    890
       2330.24   7.767   1000
       2329.38   7.765    995
       2328.53   7.762    913
       2253.17   7.511    860
       2252.34   7.508    854
       2249.49   7.498    892
       2248.67   7.496    871
       1998.00   6.660    794
       1996.27   6.654    809
       1994.31   6.648    795
       1992.58   6.642    765
    

in CDCl3



liquid film





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