5-ACETOXYMETHYL-2-FURALDEHYDE(10551-58-3) MS
Product Name5-ACETOXYMETHYL-2-FURALDEHYDE
CAS10551-58-3
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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MassMS-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
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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
KBr disc
nujol mull
