527-69-5

呋喃甲酰氯(527-69-5)核磁图(¹³CNMR)

产品名称:呋喃甲酰氯

CAS:527-69-5

分子式:C5H3ClO2

分子量: 130.53

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

InChIKey: OFTKFKYVSBNYEC-UHFFFAOYSA-N

Smiles:C(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

    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

    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