2-Methylfuran(534-22-5) 1H NMR
Product Name2-Methylfuran
CAS534-22-5
Molecular FormulaC5H6O
Molecular Weight82.1
InChIInChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
InChIKey VQKFNUFAXTZWDK-UHFFFAOYSA-N
SmilesO1C=CC=C1C
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MassMS-NW-0692 2-methylfuran C5H6O (Mass of molecular ion: 82)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.7 26.0 5.2 27.0 23.2 28.0 9.1 29.0 3.0 37.0 3.2 38.0 4.8 39.0 38.0 40.0 1.4 41.0 1.9 43.0 4.1 49.0 2.0 50.0 9.3 51.0 10.8 52.0 6.1 53.0 61.6 54.0 13.6 55.0 2.2 80.0 1.0 81.0 58.3 82.0 100.0 83.0 5.7
parameter in cyclohexane
400 MHz in CDCl3
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1H NMR 300 MHz C5 H6 O 33 % in cyclohexane 2-methylfuran 
Parameter ppm Hz
D(A) 7.159 D(B) 6.146 D(C) 5.818 D(D) 2.183 J(A,B) 1.90 J(A,C) 0.90 J(A,D) -0.40 J(B,C) 3.15 J(B,D) 0.45 J(C,D) -1.00 RODMAR,S. ET AL. ACTA CHEM.SCAND. 19, 485 (1965)
Hz ppm Int.2148.46 7.162 199 2148.00 7.160 195 2146.99 7.157 204 1846.27 6.154 126 1844.29 6.148 148 1843.46 6.145 151 1841.48 6.138 128 1747.90 5.826 123 1746.98 5.823 171 1746.01 5.820 147 1744.85 5.816 144 1743.84 5.813 163 1742.92 5.810 115 654.92 2.183 1000 654.50 2.182 969
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1H NMR 399.65 MHz C5 H6 O 0.05 ml : 0.5 ml CDCl3 2-methylfuran Assign. Shift(ppm)
A 7.248 B 6.234 C 5.934 D 2.262 J(A,B)=1.8HZ J(A,C)=1.0HZ J(A,D)=0.4HZ J(B,D)=0.4HZ J(B,C)=3.2HZ J(C,D)=1.0HZ
Hz ppm Int.2898.07 7.252 300 2897.58 7.251 312 2897.22 7.250 291 2896.61 7.248 300 2896.24 7.247 312 2895.75 7.246 296 2895.39 7.245 274 2494.14 6.241 263 2493.65 6.240 226 2492.31 6.237 234 2491.82 6.236 265 2491.46 6.235 209 2490.97 6.233 248 2490.60 6.232 263 2489.14 6.229 252 2488.65 6.228 233 2375.12 5.944 108 2374.15 5.941 256 2373.17 5.939 315 2372.19 5.936 284 2370.97 5.933 265 2370.00 5.931 290 2369.02 5.928 227 2368.04 5.926 93 904.91 2.265 966 904.42 2.264 1000 904.05 2.263 875 903.44 2.261 940 902.95 2.260 844
in CDCl3
CCl4 solution
liquid film
