Furfuryl acetate(623-17-6) IR1
Product NameFurfuryl acetate
CAS623-17-6
Molecular FormulaC7H8O3
Molecular Weight140.14
InChIInChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3
InChIKey CKOYRRWBOKMNRG-UHFFFAOYSA-N
SmilesC1(OC=CC=1)COC(=O)C
-
MassMS-NW-0538 furfuryl acetate C7H8O3 (Mass of molecular ion: 140)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 2.6 15.0 8.6 18.0 2.6 26.0 2.5 27.0 16.4 28.0 3.4 29.0 5.7 37.0 1.6 38.0 3.4 39.0 10.9 40.0 1.1 41.0 7.9 42.0 6.7 43.0 58.9 44.0 1.7 45.0 2.3 50.0 3.7 51.0 7.6 52.0 42.1 53.0 33.7 54.0 1.6 55.0 1.8 60.0 1.6 61.0 1.9 69.0 5.3 70.0 3.7 79.0 1.2 80.0 21.8 81.0 100.0 82.0 5.7 95.0 3.0 97.0 12.2 98.0 66.3 99.0 3.9 140.0 42.8 141.0 3.4
90 MHz in CDCl3
-
1H NMR 89.56 MHz C7 H8 O3 0.04 ml : 0.5 ml CDCl3 furfuryl acetate 
Assign. Shift(ppm)
A 7.414 B 6.40 C 6.35 D 5.050 E 2.067 J(A,C)=1.8HZ. J(A,B)=1.0HZ. J(B,C)=3.3HZ. CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.665.38 7.430 151 664.38 7.419 201 663.63 7.410 135 662.63 7.399 162 575.63 6.428 31 574.63 6.417 33 572.81 6.396 65 572.38 6.392 170 572.00 6.387 94 571.38 6.380 147 570.94 6.375 228 569.19 6.356 158 567.69 6.339 38 565.94 6.320 43 452.31 5.051 328 185.19 2.068 1000
in CDCl3
CCl4 solution
liquid film
