5-Methyl furfural(620-02-0) Raman
Product Name5-Methyl furfural
CAS620-02-0
Molecular FormulaC6H6O2
Molecular Weight110.11
InChIInChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
InChIKey OUDFNZMQXZILJD-UHFFFAOYSA-N
SmilesO1C(C)=CC=C1C=O
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MassMS-NW-1340 5-methyl-2-furaldehyde C6H6O2 (Mass of molecular ion: 110)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 3.3 26.0 3.9 27.0 22.6 28.0 2.9 29.0 5.9 37.0 2.7 38.0 4.2 39.0 11.6 41.0 1.0 42.0 1.9 43.0 9.8 49.0 1.8 50.0 7.8 51.0 10.5 52.0 6.0 53.0 51.6 54.0 4.9 55.0 1.3 79.0 1.8 80.0 1.5 81.0 10.3 95.0 2.0 109.0 78.9 110.0 100.0 111.0 7.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H6 O2 0.04 ml : 0.5 ml CDCl3 5-methyl-2-furaldehyde 
Assign. Shift(ppm)
A 9.51 B 7.18 C 6.24 D 2.42
Hz ppm Int.851.75 9.511 737 644.63 7.198 205 644.13 7.193 179 641.13 7.159 221 640.56 7.153 195 561.44 6.269 157 560.50 6.259 155 559.63 6.249 65 557.94 6.230 148 557.00 6.220 143 556.19 6.211 57 217.38 2.428 857 216.81 2.421 1000 216.00 2.412 718
in CDCl3
CCl4 solution
liquid film
