Furfuryl alcohol(98-00-0) MS
Product NameFurfuryl alcohol
CAS98-00-0
Molecular FormulaC5H6O2
Molecular Weight98.1
InChIInChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
InChIKey XPFVYQJUAUNWIW-UHFFFAOYSA-N
SmilesO1C=CC=C1CO
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MassMS-NW-5551 furfuryl alcohol C5H6O2 (Mass of molecular ion: 98)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.8 15.0 2.7 17.0 1.0 18.0 4.2 25.0 1.2 26.0 6.1 27.0 23.3 28.0 6.2 29.0 22.3 30.0 1.8 31.0 14.2 35.0 1.2 36.0 1.1 37.0 8.5 38.0 14.4 39.0 51.1 40.0 7.1 41.0 68.1 42.0 39.4 43.0 11.6 44.0 8.9 48.5 2.8 49.0 2.6 50.0 10.2 51.0 15.5 52.0 12.8 53.0 47.0 54.0 3.4 55.0 14.6 56.0 1.8 57.0 1.6 66.0 1.4 67.0 1.6 68.0 3.3 69.0 32.7 70.0 30.2 71.0 3.1 79.0 1.5 80.0 1.7 81.0 57.1 82.0 5.2 95.0 7.0 96.0 2.1 97.0 52.5 98.0 100.0 99.0 6.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H6 O2 0.04 ml : 0.5 ml CDCl3 furfuryl alcohol 
Assign. Shift(ppm)
A 7.368 B 6.312 C 6.257 D 4.543 E 2.70 J(A,B)=1.8HZ. J(A,C)=0.9HZ. J(B,C)=3.2HZ.
Hz ppm Int.661.38 7.385 336 660.50 7.375 336 659.63 7.366 376 658.69 7.355 378 568.63 6.350 110 566.81 6.329 98 565.38 6.313 291 563.63 6.294 306 561.75 6.273 272 561.25 6.267 274 560.88 6.263 285 558.56 6.237 108 558.06 6.232 100 557.63 6.227 99 557.13 6.221 60 406.88 4.544 1000 241.75 2.700 440
in CDCl3
CCl4 solution
liquid film
