2,5-Dimethylfuran(625-86-5) 13C NMR
Product Name2,5-Dimethylfuran
CAS625-86-5
Molecular FormulaC6H8O
Molecular Weight96.13
InChIInChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3
InChIKey GSNUFIFRDBKVIE-UHFFFAOYSA-N
SmilesO1C(C)=CC=C1C
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MassMS-IW-3414 2,5-dimethylfuran C6H8O (Mass of molecular ion: 96)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 3.1 26.0 1.9 27.0 8.2 37.0 1.0 38.0 1.6 39.0 5.6 40.0 1.1 41.0 5.8 42.0 2.3 43.0 55.5 44.0 1.4 49.0 1.1 50.0 7.3 51.0 10.2 52.0 5.6 53.0 43.8 54.0 3.1 55.0 1.4 65.0 2.5 67.0 7.3 77.0 1.4 79.0 3.1 80.0 1.5 81.0 36.5 82.0 2.0 94.0 2.6 95.0 85.6 96.0 100.0 97.0 7.1
parameter in CDCl3
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1H NMR 300 MHz C6 H8 O 0.05 ml : 0.5 ml CDCl3 2,5-dimethylfuran 
Parameter ppm Hz
D(A) 5.812 D(B) 2.228
Hz ppm Int.1743.60 5.812 263 668.40 2.228 1000
in CDCl3
