10551-58-3

5-Acetoxymethyl-2-furaldehyde(10551-58-3) MS

Product Name5-Acetoxymethyl-2-furaldehyde

CAS 10551-58-3

Molecular FormulaC8H8O4

Molecular Weight168.15

InChIInChI=1S/C8H8O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-4H,5H2,1H3

InChIKey QAVITTVTXPZTSE-UHFFFAOYSA-N

SmilesO1C(COC(C)=O)=CC=C1C=O

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5-Acetoxymethyl-2-furaldehyde(10551-58-3) MS
Mass

MS-NW-8915          
5-formylfurfuryl acetate
C8H8O4              (Mass of molecular ion:    168)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.0
      27.0       3.5
      29.0       2.8
      38.0       1.7
      39.0       5.3
      41.0       4.4
      42.0       1.6
      43.0      27.5
      50.0       2.1
      51.0       6.0
      52.0       6.6
      53.0      10.8
      68.0       1.2
      69.0       3.9
      79.0      27.2
      80.0       4.8
      81.0       6.7
      95.0       1.0
      97.0       8.7
     109.0      21.2
     110.0       1.8
     123.0       1.2
     125.0       6.0
     126.0     100.0
     127.0       6.8
     168.0       1.2

90 MHz in DMSO-d6

5-Acetoxymethyl-2-furaldehyde(10551-58-3) MS

¹H NMR	89.56 MHz
C₈ H₈ O₄	0.04 g : 0.5 ml DMSO-d₆
5-formylfurfuryl acetate

    Assign.     Shift(ppm)

      A             9.604
      B             7.522
      C             6.808
      D             5.155
      E             2.081

     Hz     ppm     Int.

    860.23   9.606    425
    675.66   7.545    125
    672.07   7.505    137
    611.57   6.829    121
    608.06   6.790    108
    461.72   5.156    347
    186.47   2.083   1000

in DMSO-d6