2-Acetylfuran(1192-62-7) Raman
Product Name2-Acetylfuran
CAS1192-62-7
Molecular FormulaC6H6O2
Molecular Weight110.11
InChIInChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
InChIKey IEMMBWWQXVXBEU-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=CO1)C
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MassMS-NW-1322 2-acetylfuran C6H6O2 (Mass of molecular ion: 110)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.2 15.0 5.3 26.0 1.4 27.0 3.6 28.0 2.1 29.0 2.3 37.0 2.8 38.0 6.1 39.0 23.6 40.0 3.6 42.0 2.9 43.0 16.9 50.0 1.6 51.0 3.4 53.0 1.8 67.0 5.0 68.0 3.7 95.0 100.0 96.0 5.3 110.0 43.6 111.0 3.2
90 MHz in CDCl3
parameter in acetone-d6
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1H NMR 89.56 MHz C6 H6 O2 0.04 ml : 0.5 ml CDCl3 2-acetylfuran 
Assign. Shift(ppm)
A 7.595 B 7.190 C 6.544 D 2.479
Hz ppm Int.681.38 7.609 113 680.63 7.600 117 679.69 7.590 112 678.88 7.581 94 646.13 7.215 102 645.38 7.207 86 642.56 7.175 114 641.81 7.167 93 588.56 6.572 96 586.81 6.553 95 585.00 6.532 87 583.25 6.513 78 222.06 2.480 1000
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1H NMR 300 MHz C6 H6 O2 in acetone-d6 2-acetylfuran Parameter ppm Hz
D(A) 7.81 D(B) 6.65 D(C) 7.32 J(A,B) 1.74 J(A,C) 0.76 J(B,C) 3.58 D(D) 2.41 FRINGUELLI,F. ET AL. ACTA CHEM.SCAND. 28 B, 175 (1974)
Hz ppm Int.2344.24 7.814 106 2343.53 7.812 115 2342.53 7.808 114 2341.78 7.806 106 2198.16 7.327 101 2197.46 7.325 101 2194.61 7.315 105 2193.91 7.313 104 1997.63 6.659 91 1995.97 6.653 92 1994.12 6.647 90 1992.36 6.641 87 722.98 2.410 1000
in CDCl3
CCl4 solution
liquid film
