623-17-6

乙酸糠酯(623-17-6)核磁图(¹HNMR)

产品名称:乙酸糠酯

CAS:623-17-6

分子式:C7H8O3

分子量: 140.14

InChI:InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3

InChIKey: CKOYRRWBOKMNRG-UHFFFAOYSA-N

Smiles:C1(OC=CC=1)COC(=O)C

Mass

MS-NW-0538          
furfuryl acetate
C7H8O3              (Mass of molecular ion:    140)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       2.6
      15.0       8.6
      18.0       2.6
      26.0       2.5
      27.0      16.4
      28.0       3.4
      29.0       5.7
      37.0       1.6
      38.0       3.4
      39.0      10.9
      40.0       1.1
      41.0       7.9
      42.0       6.7
      43.0      58.9
      44.0       1.7
      45.0       2.3
      50.0       3.7
      51.0       7.6
      52.0      42.1
      53.0      33.7
      54.0       1.6
      55.0       1.8
      60.0       1.6
      61.0       1.9
      69.0       5.3
      70.0       3.7
      79.0       1.2
      80.0      21.8
      81.0     100.0
      82.0       5.7
      95.0       3.0
      97.0      12.2
      98.0      66.3
      99.0       3.9
     140.0      42.8
     141.0       3.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₈ O₃	0.04 ml : 0.5 ml CDCl₃
furfuryl acetate

    Assign.     Shift(ppm)

      A             7.414
      B             6.40
      C             6.35
      D             5.050
      E             2.067
     
     J(A,C)=1.8HZ. J(A,B)=1.0HZ. J(B,C)=3.3HZ.
     CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

    665.38   7.430    151
    664.38   7.419    201
    663.63   7.410    135
    662.63   7.399    162
    575.63   6.428     31
    574.63   6.417     33
    572.81   6.396     65
    572.38   6.392    170
    572.00   6.387     94
    571.38   6.380    147
    570.94   6.375    228
    569.19   6.356    158
    567.69   6.339     38
    565.94   6.320     43
    452.31   5.051    328
    185.19   2.068   1000

in CDCl3