(5-METHYL-2-FURYL)METHANOL(3857-25-8) IR1
Product Name(5-METHYL-2-FURYL)METHANOL
CAS3857-25-8
Molecular FormulaC6H8O2
Molecular Weight112.13
InChIInChI=1S/C6H8O2/c1-5-2-3-6(4-7)8-5/h2-3,7H,4H2,1H3
InChIKey VOZFDEJGHQWZHU-UHFFFAOYSA-N
SmilesO1C(C)=CC=C1CO
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MassMS-NW-1337 5-methylfurfuryl alcohol C6H8O2 (Mass of molecular ion: 112)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.5 15.0 5.9 17.0 1.6 18.0 7.6 26.0 4.9 27.0 19.7 28.0 6.2 29.0 8.0 30.0 1.4 31.0 8.7 32.0 1.2 37.0 2.5 38.0 4.4 39.0 23.1 40.0 8.9 41.0 37.0 42.0 5.8 43.0 74.1 44.0 2.2 47.0 1.0 49.0 1.9 50.0 12.3 51.0 18.4 52.0 11.3 53.0 22.6 54.0 2.0 55.0 20.5 55.5 1.3 56.0 1.4 58.0 2.1 63.0 1.6 65.0 12.7 66.0 9.8 67.0 8.7 68.0 2.6 69.0 26.8 70.0 2.0 77.0 1.5 79.0 4.6 80.0 4.2 81.0 4.8 82.0 1.6 83.0 8.5 84.0 18.2 85.0 1.2 91.0 1.0 94.0 29.7 95.0 100.0 96.0 10.4 97.0 38.8 98.0 2.4 105.0 2.5 109.0 4.2 110.0 2.7 111.0 32.8 112.0 95.2 113.0 6.6 133.0 1.7 134.0 1.0 161.0 2.4 175.0 1.9 176.0 8.2 177.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H8 O2 0.04 ml : 0.5 ml CDCl3 5-methylfurfuryl alcohol 
Assign. Shift(ppm)
A 6.137 B 5.896 C 4.504 D 2.33 E 2.27
Hz ppm Int.551.56 6.159 182 551.19 6.155 173 548.50 6.125 237 548.13 6.121 227 529.94 5.918 182 528.88 5.906 175 527.88 5.895 115 526.88 5.883 145 525.81 5.872 141 403.38 4.505 732 208.88 2.333 191 203.75 2.276 993 203.13 2.269 1000
in CDCl3
CCl4 solution
liquid film
